PhytoHub: Showing entry for Caffeic acid

Caffeic acid

Identification

PhytoHub ID

PHUB000574

Name

Caffeic acid

Systematic Name

3',4'-dihydroxycinnamic acid

Synonyms

3-(3,4-dihydroxyphenyl)acrylic acid
3,4-Dihydroxycinnamic acid
3,4-Dihydroxyphenylpropenic acid
trans-caffeic acid

CAS Number

331-39-5, 501-16-6

Average Mass

180.159

Monoisotopic Mass

180.042258738

Chemical Formula

C₉H₈O₄

IUPAC Name

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

InChI Key

QAIPRVGONGVQAS-DUXPYHPUSA-N

InChI Identifier

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+

SMILES

OC(=O)\C=C\C1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.61e+00 g/l
LogS (ALOGPS): -2.05
LogP (ALOGPS): 1.67
Hydrogen Acceptors: 4
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 77.76
Refractivity: 47.021699999999996
Polarizability: 17.3100815082372
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -6.283746523508148
pKa (strongest acidic): 3.4517963199924626
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 16433
PubChem: 689043
KNApSAcK: C00000615
MetaboLights: MTBLC16433
Phenol-Explorer: 457
PeakForestCompound: 000442
HMDB: HMDB0001964

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Phenolic acids
Sub-class: Hydroxycinnamic acids

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Phenolic acid metabolites
Metabolite Sub-class: Cinnamic acids

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Cyanidin 3-O-glucoside	Polyphenols	Flavonoids	Anthocyanins	Show Food Phytochemical
5-O-Caffeoylquinic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Rosmarinic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Blueberry (Poly)phenols	Polyphenols	Not specified	Not Available	Show Food Phytochemical
Cranberry (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Olive oil (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Globe artichoke (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Coffee Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Rosemary tea (poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Tomato (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Grape (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Caffeic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Cinnamic acids and derivatives
Super-class: Phenylpropanoids and polyketides
Sub-class: Hydroxycinnamic acids and derivatives
Direct Parent Name: Hydroxycinnamic acids
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Carbonyl compounds", "Carboxylic acids", "Catechols", "Cinnamic acids", "Coumaric acids and derivatives", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Styrenes"]
External Descriptor Annotations: ["Caffeate derivatives", "caffeic acid"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Catechol", "Cinnamic acid", "Coumaric acid or derivatives", "Hydrocarbon derivative", "Hydroxycinnamic acid", "Monocarboxylic acid or derivatives", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Styrene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.012);(71.0,0.021);(72.0,0.033);(76.0,0.02);(77.0,0.029);(78.0,0.006);(79.0,0.017);(81.0,0.006);(83.0,0.023);(84.0,0.009);(85.0,0.016);(86.0,0.003);(87.0,0.063);(88.0,0.028);(89.0,0.057);(90.0,0.006);(91.0,0.014);(92.0,0.002);(93.0,0.005);(95.0,0.006);(99.0,0.006);(101.0,0.011);(102.0,0.016);(103.0,0.036);(104.0,0.007);(105.0,0.019);(106.0,0.002);(107.0,0.008);(109.0,0.009);(110.0,0.003);(111.0,0.005);(113.0,0.005);(114.0,0.003);(115.0,0.052);(116.0,0.016);(117.0,0.067);(118.0,0.008);(119.0,0.018);(120.0,0.003);(121.0,0.007);(123.0,0.003);(127.0,0.006);(128.0,0.011);(129.0,0.031);(130.0,0.007);(131.0,0.041);(132.0,0.007);(133.0,0.056);(134.0,0.008);(135.0,0.044);(136.0,0.007);(137.0,0.017);(138.0,0.002);(139.0,0.003);(141.0,0.006);(142.0,0.003);(143.0,0.018);(144.0,0.004);(145.0,0.016);(146.0,0.003);(150.0,0.004);(151.0,0.004);(155.0,0.003);(157.0,0.011);(159.0,0.007);(160.0,0.027);(161.0,0.026);(162.0,0.007);(163.0,0.035);(164.0,0.008);(165.0,0.004);(166.0,0.003);(167.0,0.002);(171.0,0.004);(172.0,0.006);(173.0,0.012);(174.0,0.003);(175.0,0.036);(176.0,0.007);(177.0,0.01);(178.0,0.003);(179.0,0.018);(180.0,0.003);(181.0,0.003);(185.0,0.005);(186.0,0.002);(187.0,0.004);(188.0,0.003);(189.0,0.023);(190.0,0.018);(191.0,0.188);(192.0,0.047);(193.0,0.018);(194.0,0.003);(195.0,0.004);(201.0,0.002);(202.0,0.002);(203.0,0.019);(204.0,0.017);(205.0,0.044);(206.0,0.011);(207.0,0.01);(208.0,0.002);(209.0,0.004);(210.0,0.002);(211.0,0.001);(216.0,0.004);(217.0,0.024);(218.0,0.009);(219.0,1.0);(220.0,0.177);(221.0,0.057);(222.0,0.007);(223.0,0.009);(224.0,0.004);(231.0,0.004);(232.0,0.002);(233.0,0.031);(234.0,0.009);(235.0,0.005);(236.0,0.002);(237.0,0.002);(247.0,0.007);(248.0,0.002);(249.0,0.082);(250.0,0.021);(251.0,0.01);(252.0,0.002);(261.0,0.002);(263.0,0.007);(264.0,0.003);(265.0,0.007);(266.0,0.002);(267.0,0.016);(268.0,0.004);(269.0,0.002);(277.0,0.003);(278.0,0.005);(279.0,0.005);(280.0,0.009);(281.0,0.003);(289.0,0.001);(291.0,0.009);(292.0,0.011);(293.0,0.046);(294.0,0.012);(295.0,0.005);(305.0,0.003);(306.0,0.002);(307.0,0.053);(308.0,0.02);(309.0,0.008);(310.0,0.002);(321.0,0.002);(323.0,0.002);(324.0,0.003);(337.0,0.002);(338.0,0.003);(380.0,0.003);(381.0,0.081);(382.0,0.04);(383.0,0.016);(384.0,0.005);(395.0,0.018);(396.0,0.292);(397.0,0.113);(398.0,0.052);(399.0,0.013);(400.0,0.003)
GC-MS	EI-B	positive	Not Available	View Spectrum	(16.0,2.0);(18.0,2.4);(26.0,2.6);(27.0,11.1);(28.0,4.9);(29.0,4.7);(37.0,1.7);(38.0,0.53);(39.0,17.9);(40.0,2.7);(41.0,2.8);(43.0,0.36);(44.0,45.5);(44.5,3.5);(45.0,4.2);(50.0,0.85);(51.0,17.8);(52.0,7.5);(53.0,13.7);(53.5,0.25);(54.0,2.9);(55.0,9.0);(61.0,1.7);(62.0,0.86);(63.0,15.8);(64.0,5.1);(65.0,3.5);(66.0,0.24);(67.0,7.5);(67.5,3.8);(68.0,4.2);(69.0,0.38);(74.0,1.7);(75.0,1.9);(76.0,1.7);(77.0,1.48);(78.0,8.3);(79.0,8.9);(80.0,2.0);(81.0,0.3);(81.5,2.9);(87.0,1.6);(88.0,4.8);(89.0,3.07);(90.0,11.4);(91.0,2.1);(92.0,1.7);(93.0,0.17);(95.0,1.5);(105.0,3.8);(106.0,5.5);(107.0,0.8);(108.0,1.6);(109.0,1.2);(110.0,7.2);(111.0,0.8);(117.0,10.7);(118.0,2.3);(119.0,2.2);(123.0,0.66);(133.0,3.5);(134.0,31.9);(135.0,21.7);(136.0,7.35);(137.0,7.2);(138.0,2.0);(139.0,1.3);(145.0,0.72);(151.0,1.4);(152.0,2.0);(162.0,4.5);(163.0,2.94);(164.0,3.0);(179.0,15.6);(180.0,99.99);(181.0,1.07);(182.0,1.6)
GC-MS	EI-B	positive	Not Available	View Spectrum	(32.0,5.6);(43.0,25.0);(44.0,16.6);(55.0,1.39);(56.0,8.3);(57.0,69.4);(60.0,5.6);(69.0,3.33);(70.0,5.6);(71.0,38.9);(81.0,8.3);(83.0,1.39);(85.0,16.6);(89.0,30.6);(90.0,2.7);(95.0,0.56);(96.0,5.6);(97.0,13.9);(107.0,2.7);(110.0,0.27);(111.0,8.3);(129.0,8.3);(134.0,16.6);(135.0,1.66);(136.0,99.99);(163.0,11.1);(180.0,41.7)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,0.600601);(86.0,0.1001);(87.0,0.500501);(88.0,2.202202);(89.0,4.404404);(90.0,0.500501);(91.0,1.101101);(92.0,0.3003);(93.0,0.4004);(94.0,0.1001);(95.0,0.3003);(97.0,0.1001);(99.0,0.4004);(100.0,0.1001);(101.0,0.500501);(102.0,1.401401);(103.0,2.102102);(104.0,0.500501);(105.0,1.501502);(106.0,0.2002);(107.0,0.600601);(108.0,0.1001);(109.0,0.600601);(110.0,0.1001);(111.0,0.1001);(113.0,0.3003);(114.0,0.2002);(115.0,4.904905);(116.0,1.501502);(117.0,5.705706);(118.0,0.700701);(119.0,1.601602);(120.0,0.3003);(121.0,0.600601);(123.0,0.1001);(127.0,0.500501);(128.0,1.001001);(129.0,1.801802);(130.0,0.3003);(131.0,3.603604);(132.0,0.600601);(133.0,4.804805);(134.0,0.700701);(135.0,3.903904);(136.0,0.600601);(137.0,1.401401);(138.0,0.2002);(139.0,0.3003);(141.0,0.500501);(142.0,0.3003);(143.0,1.001001);(144.0,0.3003);(145.0,1.401401);(146.0,0.3003);(147.0,6.206206);(148.0,1.401401);(149.0,1.401401);(150.0,0.3003);(151.0,0.3003);(153.0,0.1001);(155.0,0.1001);(157.0,0.2002);(159.0,0.700701);(160.0,2.002002);(161.0,2.302302);(162.0,0.600601);(163.0,2.902903);(164.0,0.700701);(165.0,0.4004);(166.0,0.2002);(167.0,0.1001);(169.0,0.1001);(171.0,0.2002);(172.0,0.2002);(173.0,0.700701);(174.0,0.3003);(175.0,3.003003);(176.0,0.700701);(177.0,0.900901);(178.0,0.2002);(179.0,1.501502);(180.0,0.3003);(181.0,0.2002);(182.0,0.1001);(183.0,0.1001);(185.0,0.3003);(186.0,0.2002);(187.0,0.4004);(188.0,0.3003);(189.0,1.601602);(190.0,1.801802);(191.0,17.517518);(192.0,5.505506);(193.0,1.801802);(194.0,0.3003);(195.0,0.500501);(196.0,0.1001);(201.0,0.2002);(202.0,0.1001);(203.0,1.801802);(204.0,0.700701);(205.0,1.301301);(206.0,0.4004);(207.0,0.500501);(208.0,0.2002);(209.0,0.4004);(210.0,0.1001);(215.0,0.1001);(216.0,0.4004);(217.0,0.800801);(218.0,0.800801);(219.0,100.0);(220.0,17.617618);(221.0,5.805806);(222.0,0.800801);(223.0,0.900901);(224.0,0.3003);(225.0,0.1001);(231.0,0.4004);(232.0,0.2002);(233.0,2.602603);(234.0,0.800801);(235.0,0.4004);(236.0,0.1001);(237.0,0.1001);(247.0,0.500501);(248.0,0.3003);(249.0,7.207207);(250.0,1.901902);(251.0,0.900901);(252.0,0.1001);(259.0,0.1001);(261.0,0.2002);(263.0,0.500501);(264.0,0.2002);(265.0,0.500501);(266.0,0.2002);(267.0,1.201201);(268.0,0.3003);(269.0,0.1001);(275.0,0.1001);(277.0,0.4004);(278.0,0.500501);(279.0,0.4004);(280.0,0.800801);(281.0,0.3003);(282.0,0.1001);(289.0,0.1001);(290.0,0.1001);(291.0,0.700701);(292.0,0.900901);(293.0,3.503504);(294.0,1.101101);(295.0,0.500501);(296.0,0.1001);(305.0,0.2002);(306.0,0.2002);(307.0,3.803804);(308.0,1.501502);(309.0,0.700701);(310.0,0.2002);(321.0,0.1001);(323.0,0.1001);(324.0,0.1001);(337.0,0.2002);(338.0,0.1001);(339.0,0.1001);(380.0,0.500501);(381.0,6.406406);(382.0,3.203203);(383.0,1.501502);(384.0,0.500501);(385.0,0.1001);(388.0,0.1001);(389.0,0.1001);(390.0,0.1001);(391.0,0.1001);(392.0,0.1001);(394.0,0.1001);(395.0,1.801802);(396.0,20.12012);(397.0,8.608609);(398.0,4.004004);(399.0,1.101101);(400.0,0.3003)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.012);(71.0,0.021);(72.0,0.033);(76.0,0.02);(77.0,0.029);(78.0,0.006);(79.0,0.017);(81.0,0.006);(83.0,0.023);(84.0,0.009);(85.0,0.016);(86.0,0.003);(87.0,0.063);(88.0,0.028);(89.0,0.057);(90.0,0.006);(91.0,0.014);(92.0,0.002);(93.0,0.005);(95.0,0.006);(99.0,0.006);(101.0,0.011);(102.0,0.016);(103.0,0.036);(104.0,0.007);(105.0,0.019);(106.0,0.002);(107.0,0.008);(109.0,0.009);(110.0,0.003);(111.0,0.005);(113.0,0.005);(114.0,0.003);(115.0,0.052);(116.0,0.016);(117.0,0.067);(118.0,0.008);(119.0,0.018);(120.0,0.003);(121.0,0.007);(123.0,0.003);(127.0,0.006);(128.0,0.011);(129.0,0.031);(130.0,0.007);(131.0,0.041);(132.0,0.007);(133.0,0.056);(134.0,0.008);(135.0,0.044);(136.0,0.007);(137.0,0.017);(138.0,0.002);(139.0,0.003);(141.0,0.006);(142.0,0.003);(143.0,0.018);(144.0,0.004);(145.0,0.016);(146.0,0.003);(150.0,0.004);(151.0,0.004);(155.0,0.003);(157.0,0.011);(159.0,0.007);(160.0,0.027);(161.0,0.026);(162.0,0.007);(163.0,0.035);(164.0,0.008);(165.0,0.004);(166.0,0.003);(167.0,0.002);(171.0,0.004);(172.0,0.006);(173.0,0.012);(174.0,0.003);(175.0,0.036);(176.0,0.007);(177.0,0.01);(178.0,0.003);(179.0,0.018);(180.0,0.003);(181.0,0.003);(185.0,0.005);(186.0,0.002);(187.0,0.004);(188.0,0.003);(189.0,0.023);(190.0,0.018);(191.0,0.188);(192.0,0.047);(193.0,0.018);(194.0,0.003);(195.0,0.004);(201.0,0.002);(202.0,0.002);(203.0,0.019);(204.0,0.017);(205.0,0.044);(206.0,0.011);(207.0,0.01);(208.0,0.002);(209.0,0.004);(210.0,0.002);(211.0,0.001);(216.0,0.004);(217.0,0.024);(218.0,0.009);(219.0,1.0);(220.0,0.177);(221.0,0.057);(222.0,0.007);(223.0,0.009);(224.0,0.004);(231.0,0.004);(232.0,0.002);(233.0,0.031);(234.0,0.009);(235.0,0.005);(236.0,0.002);(237.0,0.002);(247.0,0.007);(248.0,0.002);(249.0,0.082);(250.0,0.021);(251.0,0.01);(252.0,0.002);(261.0,0.002);(263.0,0.007);(264.0,0.003);(265.0,0.007);(266.0,0.002);(267.0,0.016);(268.0,0.004);(269.0,0.002);(277.0,0.003);(278.0,0.005);(279.0,0.005);(280.0,0.009);(281.0,0.003);(289.0,0.001);(291.0,0.009);(292.0,0.011);(293.0,0.046);(294.0,0.012);(295.0,0.005);(305.0,0.003);(306.0,0.002);(307.0,0.053);(308.0,0.02);(309.0,0.008);(310.0,0.002);(321.0,0.002);(323.0,0.002);(324.0,0.003);(337.0,0.002);(338.0,0.003);(380.0,0.003);(381.0,0.081);(382.0,0.04);(383.0,0.016);(384.0,0.005);(395.0,0.018);(396.0,0.292);(397.0,0.113);(398.0,0.052);(399.0,0.013);(400.0,0.003)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,0.600601);(88.0,1.501502);(89.0,6.406406);(90.0,0.500501);(91.0,1.601602);(92.0,0.1001);(93.0,0.4004);(95.0,0.3003);(96.0,0.1001);(99.0,0.2002);(101.0,0.4004);(102.0,1.301301);(103.0,2.402402);(104.0,0.4004);(105.0,1.701702);(106.0,0.1001);(107.0,0.600601);(109.0,0.600601);(113.0,0.2002);(115.0,5.305305);(116.0,1.501502);(117.0,6.106106);(118.0,0.500501);(119.0,1.601602);(120.0,0.2002);(121.0,0.500501);(123.0,0.1001);(127.0,0.4004);(128.0,0.700701);(129.0,1.601602);(130.0,0.4004);(131.0,3.503504);(132.0,0.600601);(133.0,4.404404);(134.0,0.3003);(135.0,4.404404);(136.0,0.700701);(137.0,1.301301);(138.0,0.1001);(139.0,0.2002);(141.0,0.500501);(142.0,0.2002);(143.0,0.600601);(144.0,0.1001);(145.0,1.501502);(146.0,0.2002);(147.0,5.905906);(148.0,1.201201);(149.0,1.401401);(150.0,0.3003);(151.0,0.3003);(152.0,0.1001);(157.0,0.2002);(158.0,0.1001);(159.0,0.500501);(160.0,2.102102);(161.0,2.602603);(162.0,0.600601);(163.0,3.303303);(164.0,0.600601);(165.0,0.3003);(166.0,0.1001);(167.0,0.1001);(171.0,0.2002);(172.0,0.1001);(173.0,0.600601);(174.0,0.3003);(175.0,3.203203);(176.0,0.600601);(177.0,0.800801);(178.0,0.2002);(179.0,1.601602);(180.0,0.4004);(181.0,0.2002);(182.0,0.1001);(185.0,0.2002);(187.0,0.4004);(188.0,0.3003);(189.0,1.401401);(190.0,1.501502);(191.0,19.61962);(192.0,3.603604);(193.0,1.401401);(194.0,0.2002);(195.0,0.4004);(196.0,0.1001);(203.0,1.801802);(204.0,0.700701);(205.0,1.101101);(206.0,0.4004);(207.0,0.500501);(208.0,0.1001);(209.0,0.4004);(210.0,0.1001);(216.0,0.2002);(217.0,0.600601);(218.0,0.600601);(219.0,100.0);(220.0,17.217217);(221.0,5.205205);(222.0,0.700701);(223.0,0.700701);(224.0,0.1001);(231.0,0.2002);(233.0,2.402402);(234.0,0.600601);(235.0,0.4004);(236.0,0.1001);(237.0,0.1001);(239.0,0.1001);(247.0,0.4004);(248.0,0.1001);(249.0,7.707708);(250.0,1.901902);(251.0,0.800801);(252.0,0.1001);(263.0,0.4004);(264.0,0.2002);(265.0,0.600601);(266.0,0.2002);(267.0,1.101101);(268.0,0.3003);(269.0,0.1001);(275.0,0.1001);(277.0,0.2002);(278.0,0.4004);(279.0,0.3003);(280.0,0.700701);(281.0,0.1001);(287.0,0.1001);(289.0,0.1001);(291.0,0.600601);(292.0,0.800801);(293.0,3.103103);(294.0,0.800801);(295.0,0.4004);(302.0,0.1001);(303.0,0.1001);(306.0,0.1001);(307.0,3.703704);(308.0,1.501502);(309.0,0.600601);(310.0,0.1001);(332.0,0.1001);(337.0,0.2002);(338.0,0.1001);(377.0,0.1001);(379.0,0.1001);(380.0,0.600601);(381.0,6.006006);(382.0,2.902903);(383.0,1.201201);(384.0,0.3003);(388.0,0.1001);(390.0,0.1001);(391.0,0.1001);(395.0,1.801802);(396.0,18.518519);(397.0,8.608609);(398.0,3.603604);(399.0,1.001001);(400.0,0.2002);(414.0,0.1001);(454.0,0.1001);(478.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,1.234491358);(43.98927962,1.923414898);(44.99710422,4.007692828);(63.02292522,1.323774057);(65.03857442,1.457546637);(93.03348852,1.308986854);(107.0491377,1.014171878);(108.020578,2.810552376);(109.0284026,3.509950597);(110.0362272,2.96921428);(111.0440518,1.668499628);(120.020578,3.325213938);(121.0284026,2.992698214);(132.020578,3.36757343);(133.0284026,3.54773062);(134.0362272,11.25239741);(135.0396186,1.026232994);(135.0440518,5.670540169);(136.0154921,1.198542681);(136.0518764,8.524719085);(145.0284026,1.005464452);(149.0233167,1.211194738);(150.0311413,1.699110144);(151.0389659,1.620344073);(152.0467905,1.536654465);(162.0311413,6.597008502);(163.0389659,5.761077029);(165.0182308,1.44074648);(179.03388,2.759060264);(180.0417046,11.08836003);(181.0451064,1.147035891)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,1.252797609);(71.03115062,0.8224497667);(72.03897522,0.8057339268);(73.04679982,9.930530508);(74.04796012,0.8497181206);(74.05462442,0.9277515837);(75.02606472,3.667425327);(89.04171392,1.703222405);(169.0679264,1.386335635);(195.0835756,1.681969214);(263.091801,1.763988316);(265.1074502,2.206212323);(278.1152748,0.9387710642);(279.1230994,3.282633757);(280.1250329,0.8606531479);(280.130924,0.8796642485);(294.1101889,0.8402594435);(295.1180135,2.682104673);(306.1101889,0.9096386644);(307.1180135,5.333890129);(308.1200082,1.460166001);(322.105103,0.9682343388);(323.1129276,3.447280692);(324.1149254,0.9449942628);(324.1207522,3.342140572);(325.1227523,0.9166738663);(325.1285768,1.822796708);(380.1289776,0.9682323357);(381.1368022,7.078324924);(382.1385449,2.463608876);(383.1363383,1.165491539)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(43.98927962,1.258420134);(44.99710422,2.622087075);(46.00492882,0.6379965531);(71.01275342,0.6557189832);(108.020578,1.760756509);(109.0284026,2.682634808);(110.0362272,1.612501491);(111.0440518,0.8850166093);(120.020578,3.502189836);(121.0284026,3.976745088);(132.020578,2.745373683);(133.0284026,4.498040459);(134.0362272,7.943935329);(135.0396186,0.724497033);(135.0440518,7.317849652);(136.0154921,0.7300782528);(136.0474479,0.6684950629);(136.0518764,5.29244192);(145.0284026,0.6944208187);(149.0233167,0.7924404894);(150.0311413,1.111665723);(151.0389659,1.060131959);(152.0467905,1.005376905);(162.0311413,5.172191014);(163.0389659,2.78260923);(164.0104062,0.6162378326);(165.0182308,0.9426278123);(178.0260554,1.721890392);(179.03388,1.226526995);(180.0417046,6.95780739);(181.0451064,0.7197506917)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(117.03125,135.0);(135.040268,1489.0);(139.057632,108.0);(145.02446,1033.0);(163.033752,29106.0);(164.038986,1442.0);(181.043823,1433.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(79.05406,3.6);(89.03922,2.1);(107.05047,3.9);(109.02919,1.2);(117.03377,1.5);(134.03647,14.6);(135.04434,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0493,2.18);(109.0286,1.11);(134.0366,100.0);(134.985,1.1);(136.0491,10.11);(136.9859,2.89)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0514,1.29);(112.9854,1.82);(124.172,1.09);(134.0362,1.98);(135.0453,100.0);(136.9827,11.94);(179.0344,31.85)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.00054,2.34);(49.00822,4.85);(51.02672,4.04);(63.0222,3.26);(65.00478,10.63);(77.04133,7.03);(79.05672,12.44);(81.03288,2.83);(88.03464,4.74);(89.04136,70.61);(91.01927,5.27);(106.0445,15.2);(107.0527,13.65);(108.0226,17.32);(109.0329,6.75);(117.0345,10.73);(132.0251,13.68);(134.0393,100.0);(135.0481,60.38);(137.0286,1.71)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.9965,2.0);(79.0536,5.91);(89.038,100.0);(95.049,3.8);(105.034,1.0);(117.0334,2.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(134.03619,2.5);(135.0443,100.0);(179.03599,30.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(39.03258,3.1);(45.00105,2.3);(49.00801,6.5);(51.02283,11.3);(62.01667,7.5);(65.04629,4.0);(67.01779,3.8);(79.05729,15.9);(81.03431,21.9);(89.04006,80.0);(93.03491,8.2);(105.03245,6.2);(106.06039,3.3);(107.05059,15.6);(108.02111,9.7);(109.04078,2.3);(117.03283,17.0);(132.02058,7.1);(133.02849,12.1);(134.03675,100.0);(135.04479,66.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(51.02425,1.15);(65.00478,1.38);(77.04133,1.65);(79.05672,10.66);(89.04136,22.01);(91.0555,3.13);(93.03556,1.29);(106.0445,6.2);(107.0527,10.65);(108.0226,5.34);(109.0329,4.02);(117.0382,7.22);(132.0211,2.15);(133.0303,2.45);(134.0393,73.65);(135.0481,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(79.05672,2.09);(89.04136,1.13);(107.0527,2.61);(117.0382,1.12);(134.0393,11.06);(135.0481,100.0);(179.0376,24.92)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(105.0359,2.67);(106.0397,7.91);(107.0461,13.89);(108.0196,11.85);(109.0303,11.43);(109.6984,2.17);(110.9565,4.17);(112.3414,1.98);(117.0336,8.79);(119.0335,1.52);(122.0085,2.89);(132.0254,8.35);(133.0271,5.8);(134.0358,100.0);(135.0423,64.79);(135.9124,19.78);(137.0544,5.99);(140.94,1.62);(144.1186,1.47);(155.1281,3.04);(172.5297,2.05)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(79.05672,2.72);(89.04136,3.9);(91.0555,1.3);(106.0445,2.11);(107.0527,4.33);(117.0382,3.67);(134.0393,23.96);(135.0481,100.0);(179.0376,1.09)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(47.60985,3.01);(62.02216,3.01);(63.0242,3.51);(65.04104,3.01);(77.0386,3.51);(79.05573,7.03);(89.03913,18.41);(89.85806,3.01);(91.06068,7.03);(93.02641,3.51);(107.04724,10.54);(107.72785,3.01);(111.04789,3.01);(115.04666,3.51);(117.03613,100.0);(117.76753,3.01);(118.33629,3.01);(119.95391,3.01);(121.07085,3.01);(122.08906,3.01);(123.07571,3.51);(134.04634,3.01);(135.05235,48.87);(136.05559,3.01);(136.57336,3.01);(137.12662,3.01);(139.02798,3.51);(144.03821,3.01);(145.03027,52.55);(159.62224,3.01);(163.04289,48.37);(164.04074,3.01);(165.7112,3.01);(180.08316,3.51);(181.08456,7.03)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(145.0285,1.49);(163.0386,100.0);(164.042,8.07);(179.0337,5.17);(181.0491,9.32)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.9965,2.02);(79.0536,6.0);(89.038,100.0);(95.049,3.81);(105.034,1.08);(117.0334,2.75)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.038,1.75);(68.9971,1.86);(77.0379,3.1);(79.0538,6.0);(89.038,17.51);(90.0421,1.42);(91.0543,1.98);(95.049,4.87);(105.0338,2.49);(107.0486,5.53);(117.0332,10.41);(133.0293,1.66);(135.0434,13.49);(145.0276,19.59);(146.0321,2.6);(163.0384,100.0);(164.0423,8.45);(179.0324,1.18)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(117.03646,100.0);(118.03584,56.9);(135.04335,41.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(89.04275,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(93.0687,2.4);(133.0273,2.8);(135.04384,3.3);(137.09523,2.9);(139.04413,3.3);(141.96211,6.6);(145.02171,3.9);(163.0408,100.0);(164.0444,20.4);(165.62051,3.0);(179.11101,2.2);(180.04486,15.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(89.03734,13.0);(97.96836,13.5);(107.03562,13.5);(117.02953,45.1);(133.01903,17.6);(134.03917,13.0);(135.04428,76.2);(145.02794,19.2);(163.03497,100.0);(164.04434,11.4);(180.04442,18.7);(181.04289,11.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(90.65291,2.4);(133.04149,4.4);(135.05157,3.0);(142.98462,3.1);(145.02483,13.6);(163.04135,100.0);(164.04787,4.2);(180.04041,7.2);(181.0569,6.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05347,11.9);(89.03865,9.3);(107.04834,10.2);(117.03509,7.6);(133.99004,17.8);(135.04688,30.5);(138.99782,13.6);(145.02675,9.3);(146.02032,10.2);(163.03867,100.0);(164.05708,18.6);(180.03815,31.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.0427,38.6);(135.04359,100.0);(163.04269,35.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(89.03703,12.3);(117.0322,10.0);(123.03661,8.6);(135.04312,17.3);(139.03932,11.0);(162.02763,7.0);(163.03801,100.0);(164.03682,18.9);(180.04845,20.6);(181.07037,8.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03838,43.3);(89.03534,100.0);(94.04276,65.7);(117.03677,38.8);(118.03526,40.3);(134.4608,35.8);(135.04506,58.2);(146.02924,40.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(95.05137,2.6);(107.04408,1.6);(108.90922,3.0);(111.98595,1.6);(134.03619,1.7);(135.07875,2.7);(141.9588,2.1);(145.02454,4.8);(146.10435,2.5);(163.03828,100.0);(164.04065,3.8);(165.6416,2.3);(179.0369,8.5);(180.04222,25.1);(181.04707,20.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(77.0397,4.94);(79.056,1.71);(91.0558,2.25);(105.035,1.83);(107.0496,4.03);(135.0458,100.0);(179.036,14.53)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.0031,8.53);(67.0191,1.53);(77.0394,4.29);(79.0552,9.94);(89.04,100.0);(90.0432,5.35);(91.0557,6.0);(93.0346,4.35);(95.0505,2.29);(106.0432,11.59);(107.0502,8.12);(108.0211,8.24);(109.0298,4.06);(133.0308,1.88);(134.0377,41.24);(135.0451,31.29)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(135.0457,4.62);(179.0356,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.05177,7.7);(117.03265,2.05);(134.03928,23.82);(135.05188,100.0);(179.03738,4.62)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0031,8.51);(67.0191,1.5);(77.0394,4.2);(79.0552,9.91);(89.04,100.0);(90.0432,5.31);(91.0557,5.91);(93.0346,4.3);(95.0505,2.2);(106.0432,11.51);(107.0502,8.11);(108.0211,8.21);(109.0298,4.0);(133.0308,1.8);(134.0377,41.14);(135.0451,31.23)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.0739105854);(44.99765427,0.1023456359);(49.0289544,0.0526697703);(55.01838972,0.4492288358);(57.03403978,0.0735229861);(67.01838972,0.0833708329);(71.01330434,1.40348096);(73.0289544,0.3257855249);(79.01838972,0.0417645784);(85.0289544,0.1301254791);(95.01330434,0.0948815942);(97.0289544,0.122027391);(105.0340398,0.0981265132);(109.0289544,1.650486368);(111.0446045,0.5778397303);(119.0496898,0.0336733797);(121.0289544,0.1253198549);(125.023869,0.0402807305);(127.0395191,0.0592733386);(131.0133043,0.0455373358);(133.0289544,1.276183701);(135.0446045,10.00271252);(137.023869,0.103687044);(137.0602545,0.9911027733);(139.0395191,0.0591904758);(145.0289544,0.2810688484);(149.023869,0.2473938891);(151.0395191,0.3276612073);(163.0395191,36.37736919);(165.0187836,0.1035991712);(181.0500838,44.64637976)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.2594096394);(51.0234751,0.9009128021);(55.01838972,1.471808507);(71.01330434,4.026576567);(73.0289544,0.280441499);(77.03912516,0.591630432);(79.01838972,0.6457534849);(81.03403978,0.6835039319);(91.01838972,0.2281013635);(93.03403978,0.2311499029);(95.01330434,0.6850963291);(97.0289544,0.7526233372);(99.04460446,0.2693619858);(103.0183897,0.6585160003);(105.0340398,3.383158967);(107.0496898,0.8045469707);(109.0289544,3.74550824);(111.0446045,0.7803942723);(121.0289544,0.7211502383);(123.0446045,0.2759831533);(125.0602545,0.2748602924);(131.0133043,1.128816561);(133.0289544,3.145895891);(135.0446045,28.55123304);(137.023869,0.3127301292);(137.0602545,2.102878233);(145.0289544,0.7650249357);(149.023869,0.5683512277);(151.0395191,2.123053439);(163.0395191,24.25421484);(181.0500838,15.37731379)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,3.075514106);(44.99765427,0.7466756247);(51.0234751,9.658812877);(53.03912516,3.339948251);(55.01838972,2.157746867);(57.03403978,0.4427876648);(67.01838972,1.278278013);(71.01330434,5.539248789);(73.0289544,0.3661143744);(77.03912516,13.2997462);(79.01838972,2.101774358);(79.05477522,4.613785614);(81.03403978,0.9800984996);(91.01838972,1.480877932);(93.03403978,2.777931685);(95.01330434,1.281497599);(97.0289544,0.3777373949);(103.0183897,1.884673032);(105.0340398,8.228589734);(107.0496898,2.032230615);(109.0289544,6.947583093);(111.0446045,0.746773047);(119.0496898,4.135193101);(121.0289544,2.373972236);(123.0446045,0.5886208726);(133.0289544,5.036199736);(135.0446045,9.356926696);(137.0602545,1.437440454);(145.0289544,0.9639657924);(163.0395191,2.363286606);(181.0500838,0.3859691324)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.0367737346);(41.00273965,0.1384778972);(44.99765427,0.1635174246);(53.00273965,0.0372774307);(55.01838972,0.0270496193);(71.01330434,0.0434578835);(77.03912516,0.0400612662);(83.01330434,0.0556727632);(93.03403978,0.0247487683);(95.01330434,0.0275790938);(105.0340398,0.034127631);(107.0133043,0.0427737509);(109.0289544,0.1570672602);(117.0340398,0.3249878754);(119.0133043,0.0881955567);(121.0289544,0.188506281);(123.008219,0.0345604407);(123.0446045,0.0495815664);(125.023869,0.0267240149);(131.0133043,0.1558072715);(133.0289544,0.8341580995);(135.008219,0.0451979034);(135.0446045,13.14080225);(137.023869,0.2381456909);(147.008219,0.0419250053);(149.023869,0.2851671497);(151.0031336,0.0229749168);(153.0187836,0.1478906791);(161.023869,4.542890431);(163.0031336,0.0824817085);(179.0344337,78.92141864)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.2142992782);(41.00273965,0.1705232007);(44.99765427,1.259796167);(55.01838972,0.2332850041);(75.0234751,0.1626619454);(77.03912516,0.3904631105);(83.01330434,0.2763199177);(91.01838972,0.2399520658);(93.03403978,0.7488893623);(95.01330434,0.1650553952);(103.0183897,0.17224689);(105.0340398,0.4975569136);(107.0133043,0.2965906327);(109.0289544,0.4682316466);(117.0340398,1.134741215);(119.0133043,0.9653208281);(121.0289544,1.282624488);(123.0446045,0.3680874674);(125.023869,0.2257901605);(131.0133043,1.220781474);(133.0289544,3.097631065);(135.008219,0.7157272577);(135.0446045,24.08777856);(137.023869,1.614564459);(147.008219,0.8249306479);(149.023869,0.5058925793);(151.0031336,0.2592930513);(153.0187836,0.361788587);(161.023869,8.185887373);(163.0031336,0.8126578849);(179.0344337,49.04063137)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(29.00273965,1.685269265);(41.00273965,2.405764311);(44.99765427,7.924028493);(53.00273965,1.341155387);(55.01838972,0.7805745494);(63.0234751,0.7265194347);(68.99765427,1.061264633);(75.0234751,1.85114415);(77.03912516,1.571177437);(79.01838972,0.7421255816);(89.00273965,0.9700441459);(91.01838972,2.315485556);(93.03403978,1.593010429);(103.0183897,2.598335998);(105.0340398,4.738188971);(107.0133043,2.521832683);(109.0289544,3.409461946);(117.0340398,6.978016763);(119.0133043,3.361776034);(121.0289544,1.397990754);(131.0133043,5.968273664);(132.9925689,0.7183746378);(133.0289544,6.033490839);(135.008219,1.693789278);(135.0446045,9.374449587);(137.023869,1.712433944);(143.0133043,0.9769055436);(147.008219,2.08222061);(149.023869,1.985865248);(161.023869,15.79962088);(179.0344337,3.68140925)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(135.04406,20.11);(145.02841,14.81);(145.02841,14.81);(145.02841,14.81);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(181.04954,18.91);(181.04954,18.91);(181.04954,18.91);(181.04954,18.91);(181.04954,18.91);(181.04954,18.91);(181.04954,18.91)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(55.01784,17.41);(77.03858,8.95);(93.03349,11.16);(93.03349,11.16);(93.03349,11.16);(107.04914,8.45);(107.04914,8.45);(109.02841,19.3);(109.02841,19.3);(109.02841,19.3);(109.02841,19.3);(109.02841,19.3);(111.04406,14.59);(111.04406,14.59);(111.04406,14.59);(111.04406,14.59);(111.04406,14.59);(111.04406,14.59);(117.03349,30.23);(117.03349,30.23);(119.04914,16.4);(119.04914,16.4);(121.02841,17.18);(121.02841,17.18);(121.02841,17.18);(121.02841,17.18);(121.02841,17.18);(121.02841,17.18);(133.02841,11.15);(133.02841,11.15);(133.02841,11.15);(133.02841,11.15);(133.02841,11.15);(133.02841,11.15);(133.02841,11.15);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(135.04406,93.8);(145.02841,52.72);(145.02841,52.72);(145.02841,52.72);(153.05462,12.21);(153.05462,12.21);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(181.04954,79.54);(181.04954,79.54);(181.04954,79.54);(181.04954,79.54);(181.04954,79.54);(181.04954,79.54);(181.04954,79.54)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.02293,35.47);(53.03858,25.72);(63.02293,19.94);(65.03858,32.66);(65.03858,32.66);(75.02293,37.1);(77.03858,86.34);(79.05423,60.14);(81.03349,19.37);(91.01784,30.99);(91.01784,30.99);(93.03349,36.67);(93.03349,36.67);(93.03349,36.67);(105.03349,13.89);(105.03349,13.89);(107.04914,19.63);(107.04914,19.63);(117.03349,100.0);(117.03349,100.0);(119.04914,28.64);(119.04914,28.64);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(135.04406,96.93);(145.02841,57.69);(145.02841,57.69);(145.02841,57.69)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(135.04515,80.45);(135.04515,80.45);(135.04515,80.45);(135.04515,80.45);(135.04515,80.45);(135.04515,80.45);(135.04515,80.45);(179.03498,100.0);(179.03498,100.0);(179.03498,100.0);(179.03498,100.0);(179.03498,100.0);(179.03498,100.0);(179.03498,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(107.05024,9.84);(107.05024,9.84);(117.03459,10.02);(117.03459,10.02);(133.0295,17.23);(133.0295,17.23);(133.0295,17.23);(133.0295,17.23);(133.0295,17.23);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0);(135.04515,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,23.39);(63.02402,17.67);(77.03967,9.39);(91.01894,30.16);(91.01894,30.16);(93.03459,29.43);(93.03459,29.43);(103.01894,12.67);(103.01894,12.67);(105.03459,21.32);(105.03459,21.32);(107.05024,24.93);(107.05024,24.93);(117.03459,22.23);(117.03459,22.23);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(135.04515,19.58);(135.04515,19.58);(135.04515,19.58);(135.04515,19.58);(135.04515,19.58);(135.04515,19.58);(135.04515,19.58)

Food Sources

Name	Group
American cranberry	Fruit, Berries	Publications	Show
Apple	Fruit, Pomes	Publications	Show
Apple juice	Beverages, Non-alcoholic	Publications	Show
Beer	Beverages, Alcoholic	Publications	Show
Blackberry	Fruit, Berries	Publications	Show
Blueberry	Fruit, Berries	Publications	Show
Broccoli	Vegetables, Cabbages	Publications	Show
Carrot	Vegetables, Root vegetables	Publications	Show
Cider	Beverages, Alcoholic	Publications	Show
Coffee	Coffee and coffee products	Publications	Show
Common wheat	Cereals and cereal products	Publications	Show
Eggplant	Vegetables, Fruit vegetables	Publications	Show
European cranberry	Fruit, Berries	Publications	Show
European plum	Fruit, Drupes	Publications	Show
Mate	Teas and herbal teas	Publications	Show
Olive, black	Fruit, Drupes	Publications	Show
Olive, green	Fruit, Drupes	Publications	Show
Pear	Fruit, Pomes	Publications	Show
Strawberry	Fruit, Berries	Publications	Show
Sweet cherry	Fruit, Drupes	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show
White wine grape	Fruit, Berries	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Caffeic acid	American cranberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Apple	Fruit, Pomes	Publications	Show
Caffeic acid	Apple	Fruit, Pomes	Publications	Show
5-O-Caffeoylquinic acid	Apple cider	Beverages, Alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
Caffeic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Apricot	Fruit, Drupes	Publications	Show
Caffeic acid	Beer	Beverages, Alcoholic	Publications	Show
Cyanidin 3-O-glucoside	Blackberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blackberry	Fruit, Berries	Publications	Show
Caffeic acid	Blackberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	Blackcurrant	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blackcurrant	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blueberry	Fruit, Berries	Publications	Show
Caffeic acid	Blueberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Caffeic acid	Broccoli	Vegetables, Cabbages	Publications	Show
5-O-Caffeoylquinic acid	Carrot	Vegetables, Root vegetables	Publications	Show
Caffeic acid	Carrot	Vegetables, Root vegetables	Publications	Show
5-O-Caffeoylquinic acid	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
5-O-Caffeoylquinic acid	Cider	Beverages, Alcoholic	Publications	Show
Caffeic acid	Cider	Beverages, Alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Coffee	Coffee and coffee products	Publications	Show
Caffeic acid	Coffee	Coffee and coffee products	Publications	Show
Rosmarinic acid	Common oregano	Herbs and Spices	Publications	Show
Rosmarinic acid	Common sage	Herbs and Spices	Publications	Show
Rosmarinic acid	Common thyme	Herbs and Spices	Publications	Show
Caffeic acid	Common wheat	Cereals and cereal products	Publications	Show
5-O-Caffeoylquinic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Cyanidin 3-O-glucoside	Elderberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	European cranberry	Fruit, Berries	Publications	Show
Caffeic acid	European cranberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	European plum	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	European plum	Fruit, Drupes	Publications	Show
Caffeic acid	European plum	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Globe artichoke	Vegetables, Other vegetables	Publications	Show
5-O-Caffeoylquinic acid	Green tea	Teas and herbal teas	Publications	Show
Cyanidin 3-O-glucoside	Lettuce	Vegetables, Leaf vegetables	Publications	Show
5-O-Caffeoylquinic acid	Lettuce	Vegetables, Leaf vegetables	Publications	Show
5-O-Caffeoylquinic acid	Mate	Teas and herbal teas	Publications	Show
Caffeic acid	Mate	Teas and herbal teas	Publications	Show
Rosmarinic acid	Mint	Herbs and Spices	Publications	Show
Cyanidin 3-O-glucoside	Olive, black	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, green	Fruit, Drupes	Publications	Show
Cyanidin 3-O-glucoside	Peach	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Peach	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Pear	Fruit, Pomes	Publications	Show
Caffeic acid	Pear	Fruit, Pomes	Publications	Show
Rosmarinic acid	Peppermint	Herbs and Spices	Publications	Show
Cyanidin 3-O-glucoside	Pomegranate juice	Beverages, Non-alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Potato	Vegetables, Tubers	Publications	Show
Cyanidin 3-O-glucoside	Red raspberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Roasted coffee	Coffee and coffee products	Publications	Show
Rosmarinic acid	Rosemary	Herbs and Spices	Publications	Show
Cyanidin 3-O-glucoside	Strawberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Strawberry	Fruit, Berries	Publications	Show
Caffeic acid	Strawberry	Fruit, Berries	Publications	Show
Rosmarinic acid	Sweet basil	Herbs and Spices	Publications	Show
Cyanidin 3-O-glucoside	Sweet cherry	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Sweet cherry	Fruit, Drupes	Publications	Show
Caffeic acid	Sweet cherry	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	White wine grape	Fruit, Berries	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Caffeic acid	3-Hydroxybenzoic acid	human in vitro (human) rat	feces, urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053		Publications
Caffeic acid	p-Hydroxybenzoic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053		Publications
Caffeic acid	Benzoic acid	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₇H₆O₂	122.036779433		Publications
Caffeic acid	Protocatechuic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₇H₆O₄	154.026608673		Publications
Caffeic acid	Vanillic acid	human	urine	host metabolism	Not Available	Not Available	Not Available	C₈H₈O₄	168.042258738		Publications
Caffeic acid	3',4'-Dihydroxyphenylacetic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₈H₈O₄	168.042258738		Publications
Caffeic acid	4'-Hydroxyphenylacetic acid	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₈H₈O₃	152.047344118		Publications
Caffeic acid	Caffeic acid	human	plasma, urine	unchanged	1h-3h	<20 nmol/L	<1%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Caffeic acid	Catechol	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₂	110.036779433		Publications
Caffeic acid	Coumaric acid (m-)	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₈O₃	164.047344118		Publications
Caffeic acid	Dihydrocaffeic acid	rat	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₄	182.057908802		Publications
Caffeic acid	Phloretic acid	human	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₃	166.062994182		Publications
Caffeic acid	Ferulic acid	human rat	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₀O₄	194.057908802		Publications
Caffeic acid	Isoferulic acid	human rat	feces, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₀O₄	194.057908802		Publications
Caffeic acid	3-(3',4'-Dihydroxyphenyl)propionic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₉H₁₀O₄	182.057908802		Publications
Caffeic acid	3-(3'-Hydroxyphenyl)propionic acid	rat	plasma, urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₃	166.062994182		Publications
Caffeic acid	3'-Hydroxyphenylacetic acid	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₈H₈O₃	152.047344118		Publications
Caffeic acid	Phenylacetic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₈H₈O₂	136.052429498		Publications
Caffeic acid	3-Phenylpropionic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₉H₁₀O₂	150.068079562		Publications
Caffeic acid	3-Hydroxyhippuric acid	rat	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₉H₉NO₄	195.053157774		Publications
Caffeic acid	Caffeic acid sulfoglucuronide	rat	plasma	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₆O₁₃S	436.3485242		Publications
Caffeic acid	Dihydroferulic acid	human	urine	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₂O₄	196.073558866		Publications
Caffeic acid	Ferulic acid-4'-O-glucuronide	rat	plasma	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₈O₁₀	370.08999678		Publications
Caffeic acid	Ferulic acid-4'-sulfate	rat	plasma	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₀O₇S	274.014723836		Publications
Caffeic acid	Ferulic acid sulfoglucuronide	rat	plasma	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₈O₁₃S	450.375513		Publications
Caffeic acid	Feruloylglycine	human	urine	Not Available	Not Available	Not Available	Not Available	C₁₂H₁₃NO₅	251.079372523		Publications
Caffeic acid	Hippuric acid	rat	plasma, urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₉H₉NO₃	179.058243154		Publications
Caffeic acid	Hydroxybenzoic acid	rat	urine	Not Available	Not Available	Not Available	Not Available	C₇H₆O₃	138.1230293		Publications
Caffeic acid	α-hydroxyhippuric acid	rat	urine	Not Available	Not Available	Not Available	Not Available	C₉H₉NO₄	195.053157774		Publications
Caffeic acid	4-Hydroxyphenylpropionic acid	rat	plasma, urine	Not Available	Not Available	Not Available	Not Available	C₉H₁₀O₃	166.062994182		Publications
Caffeic acid	Vanilloyl-glycine	human	urine	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₁NO₅	225.063722458		Publications
Caffeic acid	Dihydrocaffeic acid-3'-O-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₅H₁₈O₁₀	358.08999678		Publications
Caffeic acid	Isoferulic acid-3'-sulfate	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₀O₇S	274.014723836		Publications
Caffeic acid	4-Hydroxyhippuric acid	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₉H₉NO₄	195.053157774		Publications
Caffeic acid	Isoferulic acid-3'-O-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₁₈O₁₀	370.08999678		Publications
Caffeic acid	Dihydroisoferulic acid	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₂O₄	196.073558866		Publications
Caffeic acid	Dihydroisoferulic acid-3'-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Caffeic acid	Dihydroferulic acid-4'-O-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Caffeic acid	Dihydroferulic acid-4'-sulfate	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₂O₇S	276.0303739		Publications
Caffeic acid	4-Hydroxymandelic acid	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₈H₈O₄	168.042258738		Publications
Caffeic acid	Dihydrocaffeic acid-3-sulfate	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₉H₁₀O₇S	262.014723836		Publications
Caffeic acid	Caffeic acid 3'-sulfate	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₉H₈O₇S	259.999073772		Publications
Caffeic acid	4-Hydroxybenzoic acid -3-sulfate	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₇H₆O₇S	233.983423707		Publications
Caffeic acid	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₉H₁₀O₇S	262.014723836		Publications
Caffeic acid	caffeic acid-3'-O-glucuronide	rat	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₆O₁₀	356.074346715		Publications
Caffeic acid	caffeic acid-4'-O-glucuronide	rat	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₆O₁₀	356.074346715		Publications
Caffeic acid	caffeic acid-4-O-sulfate	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₉H₈O₇S	259.999073772		Publications
Caffeic acid	3'-Methoxy-4'-hydroxyphenylacetic acid	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₉H₁₀O₄	182.057908802		Publications
Caffeic acid	3-Hydroxybenzoic acid-4-sulfate	human	Not Available	host metabolism	Not Available	Not Available	Not Available	C₈H₈O₇S	247.999073772		Publications
Caffeic acid	Caffeic acid sulfate	human	plasma	host metabolism	Not Available	0.5-2µmol/L	Not Available			Detailed Intervention Studies	Publications
5-O-Caffeoylquinic acid	Caffeic acid	rat	urine	host metabolism	Not Available	Not Available	Not Available	C₉H₈O₄	180.042258738		Publications
Rosmarinic acid	Caffeic acid	rat	urine	Not Available	Not Available	Not Available	Not Available	C₉H₈O₄	180.042258738		Publications
Blueberry (Poly)phenols	Caffeic acid	human	plasma	gut microbiota metabolite	5h-8h	<20 nmol/L	Not Available	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Cranberry (Poly)phenols	Caffeic acid	human	plasma, urine	gut microbiota metabolite	5h-8h	<20 nmol/L	<1%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Olive oil (Poly)phenols	Caffeic acid	human	plasma	gut microbiota metabolite	Not Available	2-5µmol/L	Not Available	C₉H₈O₄	180.042258738	Detailed Intervention Studies
Globe artichoke (Poly)phenols	Caffeic acid	human	plasma, urine	gut microbiota metabolite	5h-8h	<20 nmol/L	<1%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Coffee Chlorogenic acids	Caffeic acid	human	plasma, urine	host metabolism	1h-3h	<20 nmol/L	<1%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Rosemary tea (poly)phenols	Caffeic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	<1%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Tomato (Poly)phenols	Caffeic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	1-5%	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications
Grape (Poly)phenols	Caffeic acid	human	plasma	host metabolism	<1h	50-200 nmol/L	Not Available	C₉H₈O₄	180.042258738	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Globe artichoke (Poly)phenols		Caffeic acid	Microbiota	Effect, clusters	Publications
	Coffee Chlorogenic acids		Caffeic acid	Microbiota	Effect, clusters	Publications

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Showing entry for Caffeic acid