PhytoHub: Showing entry for 3-Hydroxybenzoic acid

3-Hydroxybenzoic acid

Identification

PhytoHub ID

PHUB000294

Name

3-Hydroxybenzoic acid

Systematic Name

3-Hydroxybenzoic acid

Synonyms

3-Hydroxybenzenecarboxylic acid
m-Hydroxybenzoic acid

CAS Number

99-06-9

Average Mass

138.122

Monoisotopic Mass

138.031694053

Chemical Formula

C₇H₆O₃

IUPAC Name

3-hydroxybenzoic acid

InChI Key

IJFXRHURBJZNAO-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

SMILES

OC(=O)C1=CC(O)=CC=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.02e+01 g/l
LogS (ALOGPS): -1.13
LogP (ALOGPS): 1.81
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 1
Polar Surface Area: 57.53
Refractivity: 35.2951
Polarizability: 12.919313787333978
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -6.007037034515305
pKa (strongest acidic): 3.844596909709927
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Phenolic acid metabolites
Sub-class: Benzoic and hippuric acids

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Cyanidin 3-O-glucoside	Polyphenols	Flavonoids	Anthocyanins	Show Food Phytochemical
Caffeic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
5-O-Caffeoylquinic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Ferulic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Orange flavanones	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Green tea Flavan-3-ols	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
Cocoa Flavan-3-ols	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
Black tea Flavan-3-ols	Polyphenols	Flavonoids	Flavan-3-ols	Show Food Phytochemical
Hydroxytyrosol	Polyphenols	Miscellaneous polyphenols	Not Available	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Benzene and substituted derivatives
Super-class: Benzenoids
Sub-class: Benzoic acids and derivatives
Direct Parent Name: Hydroxybenzoic acid derivatives
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzoic acids", "Benzoyl derivatives", "Carboxylic acids", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Organooxygen compounds"]
External Descriptor Annotations: ["monohydroxybenzoic acid"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzoic acid", "Benzoyl", "Carboxylic acid", "Carboxylic acid derivative", "Hydrocarbon derivative", "Hydroxybenzoic acid", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.017);(71.0,0.031);(72.0,0.066);(76.0,0.176);(77.0,0.197);(78.0,0.062);(79.0,0.094);(80.0,0.012);(81.0,0.045);(82.0,0.019);(83.0,0.055);(84.0,0.023);(85.0,0.034);(86.0,0.005);(87.0,0.032);(88.0,0.015);(89.0,0.145);(90.0,0.063);(91.0,0.559);(92.0,0.199);(93.0,0.075);(94.0,0.01);(95.0,0.071);(96.0,0.031);(97.0,0.032);(98.0,0.025);(99.0,0.012);(100.0,0.009);(101.0,0.013);(102.0,0.016);(103.0,0.096);(104.0,0.077);(105.0,0.16);(106.0,0.034);(107.0,0.06);(108.0,0.01);(109.0,0.027);(110.0,0.02);(111.0,0.043);(112.0,0.027);(113.0,0.01);(114.0,0.01);(115.0,0.056);(116.0,0.01);(117.0,0.044);(118.0,0.031);(119.0,0.093);(120.0,0.045);(121.0,0.086);(122.0,0.08);(123.0,0.032);(124.0,0.006);(125.0,0.012);(126.0,0.261);(127.0,0.036);(128.0,0.007);(129.0,0.015);(130.0,0.002);(131.0,0.054);(132.0,0.012);(133.0,0.196);(134.0,0.043);(135.0,0.22);(136.0,0.038);(137.0,0.035);(138.0,0.004);(139.0,0.007);(141.0,0.003);(142.0,0.003);(143.0,0.008);(144.0,0.003);(145.0,0.016);(146.0,0.004);(150.0,0.054);(151.0,0.148);(152.0,0.021);(153.0,0.012);(154.0,0.003);(155.0,0.002);(157.0,0.008);(158.0,0.005);(159.0,0.007);(160.0,0.001);(161.0,0.009);(162.0,0.004);(163.0,0.04);(164.0,0.017);(165.0,0.146);(166.0,0.07);(167.0,0.018);(168.0,0.02);(169.0,0.005);(171.0,0.003);(173.0,0.002);(175.0,0.007);(176.0,0.003);(177.0,0.066);(178.0,0.013);(179.0,0.043);(180.0,0.012);(181.0,0.025);(182.0,0.009);(183.0,0.003);(184.0,0.007);(185.0,0.001);(186.0,0.001);(188.0,0.002);(189.0,0.002);(190.0,0.001);(191.0,0.027);(192.0,0.011);(193.0,0.785);(194.0,0.156);(195.0,0.07);(196.0,0.013);(197.0,0.004);(198.0,0.004);(199.0,0.001);(200.0,0.001);(203.0,0.002);(205.0,0.003);(206.0,0.003);(207.0,0.079);(208.0,0.023);(209.0,0.022);(210.0,0.006);(211.0,0.007);(213.0,0.005);(214.0,0.002);(215.0,0.002);(216.0,0.001);(217.0,0.005);(218.0,0.004);(219.0,0.03);(220.0,0.009);(221.0,0.008);(222.0,0.007);(223.0,0.876);(224.0,0.209);(225.0,0.109);(226.0,0.017);(227.0,0.004);(228.0,0.004);(229.0,0.001);(233.0,0.003);(234.0,0.009);(235.0,0.002);(236.0,0.001);(237.0,0.005);(238.0,0.004);(239.0,0.003);(240.0,0.003);(241.0,0.002);(242.0,0.002);(243.0,0.003);(244.0,0.002);(245.0,0.002);(246.0,0.002);(247.0,0.002);(248.0,0.002);(249.0,0.004);(250.0,0.003);(251.0,0.009);(252.0,0.005);(253.0,0.003);(254.0,0.002);(255.0,0.002);(256.0,0.008);(257.0,0.001);(258.0,0.003);(259.0,0.001);(261.0,0.003);(265.0,0.005);(266.0,0.01);(267.0,1.0);(268.0,0.26);(269.0,0.106);(270.0,0.017);(271.0,0.003);(273.0,0.002);(274.0,0.002);(275.0,0.002);(276.0,0.002);(277.0,0.002);(278.0,0.002);(279.0,0.002);(281.0,0.016);(282.0,0.346);(283.0,0.089);(284.0,0.034);(285.0,0.014);(286.0,0.004);(300.0,0.001);(304.0,0.001)
GC-MS	EI-B	positive	Not Available	View Spectrum	(25.0,1.04);(26.0,3.48);(27.0,5.85);(29.0,8.11);(31.0,1.86);(37.0,8.12);(38.0,16.65);(39.0,44.51);(40.0,4.13);(41.0,1.15);(42.0,1.59);(43.0,1.26);(45.0,16.52);(46.0,2.25);(49.0,2.1);(50.0,7.31);(51.0,4.52);(52.0,1.35);(53.0,14.22);(54.0,1.64);(55.0,6.52);(60.0,1.42);(61.0,6.18);(62.0,10.96);(63.0,22.79);(64.0,10.09);(65.0,41.27);(66.0,7.95);(67.0,1.13);(69.0,1.19);(73.0,1.1);(74.0,3.57);(75.0,2.04);(77.0,1.09);(81.0,5.1);(82.0,1.3);(92.0,6.97);(93.0,39.6);(94.0,3.29);(95.0,1.04);(110.0,3.08);(120.0,1.95);(121.0,80.52);(122.0,6.3);(138.0,99.99);(139.0,9.03)
GC-MS	EI-B	positive	Not Available	View Spectrum	(86.0,0.09317);(87.0,0.463577);(88.05,0.136079);(89.05,2.805125);(90.05,1.273769);(91.05,12.534905);(92.05,2.549543);(93.05,0.956563);(94.1,0.117365);(95.05,1.173247);(96.05,0.638154);(97.0,1.017117);(98.0,0.795487);(99.0,0.300363);(100.0,0.047989);(101.0,0.098651);(102.05,0.112553);(103.05,1.484437);(104.1,1.565443);(105.1,3.019804);(106.1,0.475608);(107.05,0.942928);(108.1,0.134609);(109.1,0.606875);(110.05,0.103596);(111.1,1.406105);(112.05,1.600064);(113.05,0.285525);(114.0,0.031814);(115.05,0.564902);(116.1,0.127524);(117.1,0.695634);(118.1,0.947206);(119.1,2.12727);(120.05,0.852699);(121.05,1.590707);(122.1,1.033559);(123.05,0.423609);(124.15,0.097314);(125.15,0.410242);(126.1,12.675663);(127.05,1.64578);(128.1,0.068975);(129.1,0.121108);(130.1,0.040102);(131.05,1.226449);(132.15,0.27042);(133.05,3.46587);(134.1,0.634946);(135.1,5.826934);(136.1,0.87128);(137.1,0.875023);(138.1,0.107473);(139.1,0.112152);(140.1,0.02219);(141.1,0.04732);(142.1,0.016575);(143.1,0.131267);(144.1,0.025799);(145.1,0.378428);(146.1,0.083278);(147.1,7.101906);(148.15,1.491121);(149.1,8.238793);(150.15,1.388995);(151.1,1.444469);(152.1,0.21909);(153.1,0.076728);(154.1,0.020452);(155.1,0.037696);(156.1,0.028606);(157.1,0.114558);(158.1,0.027537);(159.1,0.068975);(160.1,0.029809);(161.05,0.22457);(162.1,0.166289);(163.1,1.232731);(164.1,0.582279);(165.1,6.410683);(166.1,1.285933);(167.1,0.453686);(168.1,0.058281);(169.1,0.054672);(170.1,0.012699);(171.1,0.032884);(172.1,0.011496);(173.1,0.015105);(174.1,0.015907);(175.1,0.090363);(176.1,0.048657);(177.05,2.888671);(178.1,0.491649);(179.05,1.835195);(180.05,0.388988);(181.05,0.891865);(182.05,0.189682);(183.1,0.083278);(184.1,0.034755);(185.1,0.004545);(186.1,0.013367);(187.1,0.021254);(188.1,0.016308);(189.1,0.039701);(190.1,0.055073);(191.05,0.907104);(192.15,0.600726);(193.05,33.917484);(194.05,5.897647);(195.05,2.847098);(196.05,0.46331);(197.1,0.107206);(198.1,0.059618);(199.1,0.01056);(203.1,0.015105);(204.1,0.012031);(205.1,0.105602);(206.1,0.084348);(207.1,5.430594);(208.05,1.141299);(209.1,1.216423);(210.1,0.26895);(211.1,0.09718);(212.1,0.027269);(213.1,0.005882);(216.1,0.00655);(217.1,0.037161);(218.1,0.003609);(219.05,0.175111);(220.1,0.061088);(221.1,0.511299);(222.15,0.474806);(223.1,59.766607);(224.1,14.212901);(225.1,5.920906);(226.1,0.846417);(227.1,0.159873);(228.1,0.016174);(229.1,0.023794);(230.1,0.009491);(231.1,0.042508);(232.1,0.020452);(233.1,0.131267);(234.1,0.039433);(235.1,0.067906);(236.1,0.025799);(237.05,0.376155);(238.1,0.133807);(239.1,0.08261);(240.1,0.020452);(241.1,0.014036);(242.1,0.006684);(243.1,0.00909);(244.1,0.009758);(245.1,0.003208);(246.1,0.007352);(247.1,0.017377);(248.1,0.006951);(249.0,0.173106);(250.0,0.055474);(251.0,0.616098);(252.0,0.19436);(253.05,0.163348);(254.1,0.038765);(255.1,0.020853);(257.1,0.002406);(258.1,0.003475);(259.1,0.00909);(260.1,0.00254);(262.1,0.016976);(263.1,0.005614);(264.1,0.023393);(265.1,0.460102);(266.15,0.67077);(267.1,100.0);(268.1,22.941605);(269.1,9.332371);(270.1,1.457703);(271.1,0.27042);(272.1,0.024462);(273.1,0.002941);(274.1,0.009892);(275.1,0.012699);(276.1,0.013768);(277.1,0.011496);(278.1,0.004545);(279.1,0.012298);(280.1,0.013635);(281.15,1.240618);(282.15,37.58413);(283.1,9.391454);(284.1,3.467474);(285.1,0.667429);(286.05,0.101591);(287.1,0.018313);(288.1,0.006149);(289.1,0.007619);(290.1,0.000802);(291.1,0.006283);(292.1,0.006283);(294.1,0.004545);(300.1,0.00401);(301.1,0.004545);(302.1,0.002807);(303.1,0.005882);(304.1,0.001871);(305.1,0.012966);(306.1,0.009491);(308.1,0.00401);(309.1,0.006149);(310.1,0.004545);(311.1,0.017244);(312.1,0.004545);(313.1,0.012565);(314.1,0.00802);(315.1,0.00802);(316.1,0.013367);(317.1,0.008288);(318.1,0.009758);(319.1,0.013635);(320.1,0.007352);(321.1,0.003475);(322.1,0.003208);(324.1,0.001069);(325.1,0.01056);(326.1,0.016575);(327.1,0.02366);(328.1,0.005882);(330.1,0.006283);(331.1,0.022323);(332.1,0.003208);(333.1,0.000401);(334.1,0.004411);(335.1,0.014169);(336.1,0.00909);(337.1,0.000802);(338.1,0.000267);(339.1,0.012699);(340.1,0.006951);(341.1,0.00909);(343.1,0.007619);(344.1,0.006684);(346.1,0.003208);(347.1,0.000802);(350.1,0.001069);(352.1,0.009758);(353.1,0.009357);(355.1,0.024462);(356.1,0.016308);(357.1,0.016174);(358.1,0.009892);(359.1,0.002406);(360.1,0.007352);(361.1,0.003208);(362.1,0.00254);(363.1,0.00254);(364.1,0.012699);(365.1,0.005882);(366.1,0.008421);(367.1,0.011496);(368.1,0.007218);(369.1,0.007619);(370.1,0.00802);(371.1,0.00401);(372.1,0.009758);(373.1,0.006149);(375.1,0.001871);(376.1,0.012565);(377.1,0.00508);(379.1,0.01056);(381.1,0.00147);(382.1,0.012031);(384.1,0.002406);(385.1,0.00655);(386.1,0.005614);(387.1,0.005614);(389.1,0.005614);(390.1,0.003208);(391.1,0.012699);(392.1,0.010961);(394.1,0.003208);(396.1,0.009758);(399.1,0.004545);(400.1,0.002406);(402.1,0.000668);(403.1,0.004411);(404.1,0.009491);(405.1,0.00909);(406.1,0.008689);(407.1,0.010828);(408.1,0.00802);(409.1,0.008288);(410.1,0.013367);(412.1,0.005882);(414.1,0.010159);(415.1,0.00802);(416.1,0.00802);(417.1,0.002807);(419.1,0.008689);(421.1,0.012565);(422.1,0.000267);(423.1,0.00401);(424.1,0.003609);(425.1,0.001871);(426.1,0.010426);(427.1,0.003208);(428.1,0.006951);(429.1,0.008822);(430.1,0.006283);(431.1,0.002941);(432.1,0.00508);(433.1,0.002807);(434.1,0.009491);(435.1,0.00508);(436.1,0.010159);(438.1,0.00401);(440.1,0.018714);(441.1,0.009892);(442.1,0.009357);(443.1,0.00254);(444.1,0.006283);(445.1,0.007352);(446.1,0.007753);(447.1,0.006283);(448.1,0.003475);(449.1,0.004545);(450.1,0.012031);(451.1,0.01056);(452.1,0.006283);(454.1,0.010426);(455.1,0.000802);(457.1,0.008288);(458.1,0.006684);(459.1,0.00254);(460.1,0.014437);(461.1,0.007218);(462.1,0.004545);(463.1,0.003208);(464.1,0.006684);(465.1,0.006283);(466.1,0.000668);(467.1,0.005614);(468.1,0.006684);(469.1,0.007352);(470.1,0.010426);(472.1,0.01056);(473.1,0.009892);(474.1,0.003877);(475.1,0.00655);(476.1,0.006684);(477.1,0.000401);(479.1,0.003877);(480.1,0.00909);(481.1,0.00401);(483.1,0.009491);(484.1,0.00508);(485.1,0.007619);(486.1,0.00802);(487.1,0.001871);(488.1,0.017244);(489.1,0.011496);(490.1,0.007619);(491.1,0.011229);(493.1,0.004545);(494.1,0.003208)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.017);(71.0,0.031);(72.0,0.066);(76.0,0.176);(77.0,0.197);(78.0,0.062);(79.0,0.094);(80.0,0.012);(81.0,0.045);(82.0,0.019);(83.0,0.055);(84.0,0.023);(85.0,0.034);(86.0,0.005);(87.0,0.032);(88.0,0.015);(89.0,0.145);(90.0,0.063);(91.0,0.559);(92.0,0.199);(93.0,0.075);(94.0,0.01);(95.0,0.071);(96.0,0.031);(97.0,0.032);(98.0,0.025);(99.0,0.012);(100.0,0.009);(101.0,0.013);(102.0,0.016);(103.0,0.096);(104.0,0.077);(105.0,0.16);(106.0,0.034);(107.0,0.06);(108.0,0.01);(109.0,0.027);(110.0,0.02);(111.0,0.043);(112.0,0.027);(113.0,0.01);(114.0,0.01);(115.0,0.056);(116.0,0.01);(117.0,0.044);(118.0,0.031);(119.0,0.093);(120.0,0.045);(121.0,0.086);(122.0,0.08);(123.0,0.032);(124.0,0.006);(125.0,0.012);(126.0,0.261);(127.0,0.036);(128.0,0.007);(129.0,0.015);(130.0,0.002);(131.0,0.054);(132.0,0.012);(133.0,0.196);(134.0,0.043);(135.0,0.22);(136.0,0.038);(137.0,0.035);(138.0,0.004);(139.0,0.007);(141.0,0.003);(142.0,0.003);(143.0,0.008);(144.0,0.003);(145.0,0.016);(146.0,0.004);(150.0,0.054);(151.0,0.148);(152.0,0.021);(153.0,0.012);(154.0,0.003);(155.0,0.002);(157.0,0.008);(158.0,0.005);(159.0,0.007);(160.0,0.001);(161.0,0.009);(162.0,0.004);(163.0,0.04);(164.0,0.017);(165.0,0.146);(166.0,0.07);(167.0,0.018);(168.0,0.02);(169.0,0.005);(171.0,0.003);(173.0,0.002);(175.0,0.007);(176.0,0.003);(177.0,0.066);(178.0,0.013);(179.0,0.043);(180.0,0.012);(181.0,0.025);(182.0,0.009);(183.0,0.003);(184.0,0.007);(185.0,0.001);(186.0,0.001);(188.0,0.002);(189.0,0.002);(190.0,0.001);(191.0,0.027);(192.0,0.011);(193.0,0.785);(194.0,0.156);(195.0,0.07);(196.0,0.013);(197.0,0.004);(198.0,0.004);(199.0,0.001);(200.0,0.001);(203.0,0.002);(205.0,0.003);(206.0,0.003);(207.0,0.079);(208.0,0.023);(209.0,0.022);(210.0,0.006);(211.0,0.007);(213.0,0.005);(214.0,0.002);(215.0,0.002);(216.0,0.001);(217.0,0.005);(218.0,0.004);(219.0,0.03);(220.0,0.009);(221.0,0.008);(222.0,0.007);(223.0,0.876);(224.0,0.209);(225.0,0.109);(226.0,0.017);(227.0,0.004);(228.0,0.004);(229.0,0.001);(233.0,0.003);(234.0,0.009);(235.0,0.002);(236.0,0.001);(237.0,0.005);(238.0,0.004);(239.0,0.003);(240.0,0.003);(241.0,0.002);(242.0,0.002);(243.0,0.003);(244.0,0.002);(245.0,0.002);(246.0,0.002);(247.0,0.002);(248.0,0.002);(249.0,0.004);(250.0,0.003);(251.0,0.009);(252.0,0.005);(253.0,0.003);(254.0,0.002);(255.0,0.002);(256.0,0.008);(257.0,0.001);(258.0,0.003);(259.0,0.001);(261.0,0.003);(265.0,0.005);(266.0,0.01);(267.0,1.0);(268.0,0.26);(269.0,0.106);(270.0,0.017);(271.0,0.003);(273.0,0.002);(274.0,0.002);(275.0,0.002);(276.0,0.002);(277.0,0.002);(278.0,0.002);(279.0,0.002);(281.0,0.016);(282.0,0.346);(283.0,0.089);(284.0,0.034);(285.0,0.014);(286.0,0.004);(300.0,0.001);(304.0,0.001)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,3.103103);(86.0,0.4004);(87.0,2.602603);(88.0,0.800801);(89.0,12.812813);(90.0,5.505506);(91.0,52.352352);(92.0,18.118118);(93.0,7.007007);(94.0,0.800801);(95.0,6.706707);(96.0,2.502503);(97.0,3.403403);(98.0,2.102102);(99.0,1.101101);(100.0,0.1001);(101.0,0.700701);(102.0,1.001001);(103.0,8.108108);(104.0,6.506507);(105.0,14.914915);(106.0,2.702703);(107.0,5.505506);(108.0,0.900901);(109.0,2.402402);(110.0,0.4004);(111.0,3.803804);(112.0,3.503504);(113.0,0.700701);(115.0,4.504505);(116.0,0.700701);(117.0,3.403403);(118.0,2.702703);(119.0,8.408408);(120.0,4.004004);(121.0,7.807808);(122.0,7.307307);(123.0,2.902903);(124.0,0.500501);(125.0,1.001001);(126.0,23.523524);(127.0,2.702703);(128.0,0.1001);(129.0,0.500501);(130.0,0.1001);(131.0,4.204204);(132.0,0.900901);(133.0,16.516517);(134.0,3.003003);(135.0,20.22022);(136.0,3.303303);(137.0,3.203203);(138.0,0.4004);(139.0,0.3003);(141.0,0.2002);(143.0,0.500501);(145.0,1.101101);(146.0,0.2002);(147.0,18.118118);(148.0,3.903904);(149.0,24.224224);(150.0,4.504505);(151.0,13.413413);(152.0,1.701702);(153.0,0.700701);(155.0,0.1001);(157.0,0.500501);(159.0,0.1001);(161.0,0.800801);(162.0,0.3003);(163.0,3.303303);(164.0,1.401401);(165.0,15.215215);(166.0,5.205205);(167.0,1.601602);(168.0,0.2002);(169.0,0.1001);(175.0,0.2002);(176.0,0.1001);(177.0,6.306306);(178.0,1.201201);(179.0,4.504505);(180.0,0.900901);(181.0,2.302302);(182.0,0.4004);(183.0,0.2002);(191.0,1.701702);(192.0,0.700701);(193.0,67.267267);(194.0,13.513514);(195.0,6.506507);(196.0,1.001001);(197.0,0.3003);(205.0,0.1001);(206.0,0.1001);(207.0,8.608609);(208.0,2.102102);(209.0,2.202202);(210.0,0.500501);(211.0,0.2002);(219.0,0.2002);(221.0,0.800801);(222.0,0.3003);(223.0,81.881882);(224.0,20.520521);(225.0,8.108108);(226.0,1.301301);(227.0,0.2002);(233.0,0.1001);(237.0,0.4004);(238.0,0.2002);(239.0,0.1001);(240.0,0.1001);(241.0,0.1001);(242.0,0.1001);(243.0,0.1001);(244.0,0.1001);(245.0,0.1001);(246.0,0.1001);(247.0,0.1001);(248.0,0.1001);(249.0,0.2002);(250.0,0.1001);(251.0,0.800801);(252.0,0.3003);(253.0,0.2002);(254.0,0.1001);(255.0,0.1001);(256.0,0.1001);(265.0,0.500501);(266.0,0.900901);(267.0,100.0);(268.0,24.924925);(269.0,10.11011);(270.0,1.701702);(271.0,0.3003);(273.0,0.1001);(274.0,0.1001);(275.0,0.2002);(276.0,0.1001);(277.0,0.1001);(278.0,0.1001);(281.0,1.401401);(282.0,33.633634);(283.0,8.608609);(284.0,3.403403);(285.0,0.600601);(286.0,0.1001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(23.99945142,0.9468376923);(25.00727602,1.350237644);(27.02292522,1.041135066);(39.02292522,3.065727216);(44.99710422,1.376777501);(53.00219012,1.556361635);(63.99436552,1.04943801);(65.00219012,1.803649735);(65.03857442,1.535857449);(66.01001472,1.865350461);(67.01783932,1.771772788);(67.98927962,1.136637809);(69.03348852,1.32490595);(79.01783932,1.613293654);(93.03348852,1.358236233);(94.00492882,1.859770389);(94.04131312,11.63586209);(95.01275342,1.486172046);(96.02057802,1.451323314);(97.02840262,1.178088471);(108.020578,1.303048128);(109.0284026,2.23876849);(109.9998429,1.17327715);(110.0362272,1.737091703);(120.020578,12.85153133);(121.0239635,1.024361039);(121.0284026,10.96770342);(121.9998429,1.701795611);(123.0076675,2.136951901);(138.0311413,22.63831695);(139.0345415,1.819719128)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,0.6983954099);(39.02292522,1.04283774);(57.01550142,1.06897563);(71.03115062,1.379822003);(72.03897522,0.7819267266);(73.01041552,0.8284222325);(73.04679982,13.62998273);(74.04796012,1.166266324);(89.04171392,4.205206561);(123.0260647,0.9306717253);(149.0417139,0.8993278783);(151.0573631,1.723843016);(165.036628,1.076500425);(165.0730123,2.369168166);(166.0808369,0.7665745978);(167.0886615,0.7638933704);(169.0679264,0.9476401641);(177.036628,0.8442535397);(181.0679264,1.882635106);(192.0601018,0.9059397516);(193.0679264,12.096521);(194.0701599,1.999234968);(195.0471913,2.460255593);(208.0550159,1.002698092);(209.0628405,3.232249036);(210.0706651,1.725682219);(211.0784897,2.054696084);(266.0788905,1.135785264);(267.0867151,6.341510792);(268.0885084,1.519240216);(282.1101889,1.185536138)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(23.99945142,0.8237813303);(25.00727602,1.014605524);(39.02292522,2.589838592);(39.99436552,0.9366774104);(40.03074982,0.7674567252);(44.99710422,1.197843739);(53.00219012,1.317081068);(65.00219012,0.8570751391);(65.03857442,1.312043224);(66.01001472,1.495593831);(67.01783932,1.308916616);(67.98927962,0.9897815488);(68.02566392,0.7797396381);(79.01783932,1.011938037);(94.00492882,1.618064149);(94.04131312,10.1344331);(95.01275342,1.227314128);(96.02057802,1.262701158);(97.02840262,1.024977454);(108.020578,1.137192737);(109.0284026,1.979576024);(109.9998429,1.02079144);(110.0362272,1.511329477);(120.020578,10.79303206);(121.0239635,0.8602835917);(121.0284026,5.708294314);(121.9998429,1.480620663);(123.0076675,1.774635871);(138.0311413,20.49973598);(139.0345415,1.647815152)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(44.8,0.763989);(45.4,0.082593);(59.0,2.002891);(76.7,0.082593);(78.9,0.12389);(93.0,4.501342);(96.8,0.041297);(101.2,0.061945);(107.1,0.185835);(115.2,8.486475);(119.0,0.289077);(128.2,0.557506);(137.1,100.0);(146.2,0.309725);(153.0,0.082593);(158.3,0.392319);(185.3,0.082593);(194.5,0.041297);(197.5,0.041297);(201.9,0.536857);(215.3,0.24778)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(45.3,2.66535);(59.0,7.601185);(59.9,0.29615);(70.9,0.493583);(77.4,0.394867);(82.3,0.987167);(85.0,0.493583);(91.1,0.394867);(93.2,100.0);(99.6,0.5923);(99.9,0.987167);(102.1,2.764067);(115.2,2.764067);(119.2,0.789733);(123.0,0.5923);(127.6,1.085884);(128.1,1.085884);(129.8,0.394867);(137.0,15.992103);(143.1,0.987167);(146.2,2.66535);(158.3,1.382034)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(41.3,3.521127);(45.1,22.535211);(59.3,30.985915);(93.1,100.0);(107.5,4.225352);(127.6,3.521127);(137.2,2.816901)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(44.8,77.777778);(59.4,61.111111);(93.1,100.0);(95.7,33.333333);(101.9,16.666667)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(41.8,100.0)
LC-MS/MS	LC-ESI-ITFT	negative	Not Available	View Spectrum	(79.019,0.288722);(93.0345,53.428067);(95.0135,0.143771);(108.0216,0.492857);(109.0295,0.795026);(124.0167,0.168571);(137.0242,100.0)
LC-MS/MS	Not Available	negative	Not Available	View Spectrum	(56.321678,0.082088);(65.0382,0.125046);(76.205719,0.089134);(93.033173,100.0);(94.036484,3.003543);(137.02327,43.935013);(138.017654,0.117964);(138.02684,1.559054)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02743,25.5);(41.04294,19.4);(45.00201,21.2);(50.02016,5.4);(51.02805,100.0);(51.54994,1.2);(56.96921,3.7);(57.9407,2.3);(64.00101,4.6);(65.04432,58.8);(66.04831,5.5);(67.05968,4.9);(76.03187,4.3);(77.04461,74.0);(79.02454,5.1);(94.04738,9.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.0435,3.2);(45.00165,7.5);(51.02734,1.2);(55.02542,1.8);(56.97146,3.8);(65.04431,13.3);(67.06104,6.7);(77.04474,100.0);(93.03988,28.3);(94.04675,3.7);(95.05608,45.2);(121.03509,26.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(79.95815,68.0);(95.95028,100.0);(120.94478,13.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.03454,100.0);(137.02572,28.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.02747,1.9);(56.96942,5.1);(65.04364,2.5);(67.05951,2.6);(77.04458,38.8);(93.04024,9.5);(95.05556,100.0);(121.0351,18.5);(139.0455,6.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.02613,1.4);(56.96665,8.3);(63.50336,1.4);(65.04112,3.1);(67.057,4.5);(77.04128,44.3);(93.03565,5.2);(95.05186,100.0);(121.03152,16.5);(139.04307,4.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.04078,1.8);(44.99899,2.9);(51.02511,7.4);(55.02022,1.4);(56.96699,8.8);(65.04109,16.5);(67.0571,5.8);(77.04106,100.0);(93.03705,18.2);(94.0427,1.3);(95.05182,32.7);(105.04696,2.4);(121.03136,9.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02491,17.9);(41.0397,2.8);(44.99893,18.3);(51.02521,100.0);(55.02041,8.4);(55.9365,1.1);(56.96625,5.3);(65.04117,35.4);(66.0489,1.8);(68.02504,1.7);(77.04121,67.5);(89.04054,1.6)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(34.46536,1.9);(65.03818,1.9);(93.03376,100.0);(93.7402,1.2);(137.0257,6.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02213,36.0);(65.03841,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.0345,53.43);(137.0242,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.03474,100.0);(137.02357,25.8)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.06188,1.1);(93.03444,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.0219831471);(43.01838972,0.0236919929);(44.99765427,0.0130379778);(45.03403978,0.0115781334);(51.0234751,0.0558612972);(53.03912516,0.0025878485);(55.01838972,0.0023318746);(65.03912516,0.0083877944);(67.01838972,0.5739581937);(69.03403978,0.0813872609);(71.01330434,0.0261172558);(73.0289544,0.0114252776);(79.01838972,0.0951195541);(93.03403978,23.52488452);(95.01330434,0.3501414854);(95.04968984,3.350825816);(97.0289544,0.2317821541);(99.00821896,0.0202455336);(104.9976543,0.0412778742);(113.023869,0.1311640129);(123.008219,0.409332321);(139.0395191,71.01287868)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,0.4818221827);(43.01838972,0.0538410601);(44.99765427,0.03584908);(45.03403978,0.0196474105);(51.0234751,1.494762426);(53.03912516,0.1257982947);(55.01838972,0.0211250676);(65.03912516,0.3258887925);(67.01838972,0.4876450753);(69.03403978,0.2103532067);(71.01330434,0.1527890797);(73.0289544,0.0853084311);(79.01838972,0.2320380001);(93.03403978,53.34133745);(95.01330434,0.1155221774);(95.04968984,8.592666213);(97.0289544,1.318661699);(99.00821896,0.1273167951);(104.9976543,0.1025453657);(113.023869,0.2195065748);(123.008219,0.5522258066);(139.0395191,31.90334981)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,1.221089862);(43.01838972,0.4202957281);(44.99765427,0.1618826368);(45.03403978,0.1893395395);(51.0234751,19.07315075);(53.03912516,1.142369862);(55.01838972,0.2280914749);(65.03912516,4.946619753);(67.01838972,16.80080818);(69.03403978,1.600260129);(71.01330434,0.3646571399);(73.0289544,0.1605647902);(79.01838972,3.719981009);(93.03403978,40.5213709);(95.01330434,1.215283084);(95.04968984,4.929502174);(97.0289544,0.8327015961);(99.00821896,0.196225761);(104.9976543,0.1018420686);(113.023869,0.3324469485);(123.008219,0.5428197865);(139.0395191,1.298696828)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0009907202);(39.0234751,0.0271032228);(41.00273965,0.0636058244);(43.01838972,0.001430875);(44.99765427,0.1371956031);(49.00782503,0.0092628012);(51.0234751,0.0158652842);(53.00273965,0.0036427164);(63.0234751,0.0120877415);(65.00273965,0.0096349711);(67.01838972,0.0634501465);(68.99765427,0.0235557049);(71.01330434,0.0207501254);(77.00273965,0.0113378987);(91.01838972,0.6450388867);(92.99765427,0.0160520886);(93.03403978,28.5091497);(95.01330434,0.0521882888);(96.99256889,0.0704676549);(111.008219,0.1145205932);(120.9925689,0.2242548573);(137.023869,69.96841429)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.0078602713);(39.0234751,0.1018106261);(41.00273965,0.0627138599);(43.01838972,0.0239206211);(44.99765427,0.4022943066);(49.00782503,0.2166937022);(51.0234751,0.4711578617);(53.00273965,0.0162022171);(63.0234751,0.3803367657);(65.00273965,0.1291662876);(67.01838972,0.59788421);(68.99765427,0.0955143783);(71.01330434,0.0732133179);(77.00273965,0.204782159);(91.01838972,2.830709748);(92.99765427,0.3733959995);(93.03403978,56.02523412);(95.01330434,0.6455078254);(96.99256889,0.0558177476);(111.008219,0.2186496405);(120.9925689,1.442256733);(137.023869,35.6248776)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(25.00782503,0.427395491);(39.0234751,1.318172009);(41.00273965,2.472266097);(43.01838972,0.3995341998);(44.99765427,6.803434828);(49.00782503,5.198433234);(51.0234751,2.793946641);(53.00273965,1.344949387);(63.0234751,4.172651778);(65.00273965,2.186806739);(67.01838972,13.39536738);(68.99765427,0.8961939117);(71.01330434,0.2100472118);(77.00273965,1.648871951);(91.01838972,6.589366378);(92.99765427,0.8845819115);(93.03403978,40.36228881);(95.01330434,2.167675371);(96.99256889,0.1897650169);(111.008219,0.663119905);(120.9925689,0.4220078326);(137.023869,5.453123921)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(95.04914,82.89);(95.04914,82.89);(95.04914,82.89);(95.04914,82.89);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(139.03897,92.48);(139.03897,92.48);(139.03897,92.48);(139.03897,92.48);(139.03897,92.48)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(53.03858,13.43);(65.03858,38.62);(69.03349,16.45);(69.03349,16.45);(93.03349,47.85);(93.03349,47.85);(93.03349,47.85);(93.03349,47.85);(95.04914,82.26);(95.04914,82.26);(95.04914,82.26);(95.04914,82.26);(111.04406,29.93);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(139.03897,68.36);(139.03897,68.36);(139.03897,68.36);(139.03897,68.36);(139.03897,68.36)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,12.28);(41.03858,16.33);(49.00728,19.85);(51.02293,97.95);(53.03858,21.93);(63.02293,10.91);(65.03858,100.0);(79.01784,28.06);(79.01784,28.06);(93.03349,73.15);(93.03349,73.15);(93.03349,73.15);(93.03349,73.15);(95.04914,20.58);(95.04914,20.58);(95.04914,20.58);(95.04914,20.58)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(137.02442,98.53);(137.02442,98.53);(137.02442,98.53);(137.02442,98.53);(137.02442,98.53)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,93.12);(63.02402,24.62);(65.00329,36.63);(67.01894,29.24);(67.01894,29.24);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Caffeic acid	American cranberry	Fruit, Berries	Publications	Show
Ferulic acid	American cranberry	Fruit, Berries	Publications	Show
Caffeic acid	Apple	Fruit, Pomes	Publications	Show
5-O-Caffeoylquinic acid	Apple	Fruit, Pomes	Publications	Show
5-O-Caffeoylquinic acid	Apple cider	Beverages, Alcoholic	Publications	Show
Caffeic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
Ferulic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Apricot	Fruit, Drupes	Publications	Show
Caffeic acid	Beer	Beverages, Alcoholic	Publications	Show
Ferulic acid	Beer	Beverages, Alcoholic	Publications	Show
Ferulic acid	Bilberry	Fruit, Berries	Publications	Show
Ferulic acid	Black mulberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	Blackberry	Fruit, Berries	Publications	Show
Caffeic acid	Blackberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blackberry	Fruit, Berries	Publications	Show
Ferulic acid	Blackberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	Blackcurrant	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blackcurrant	Fruit, Berries	Publications	Show
Caffeic acid	Blueberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blueberry	Fruit, Berries	Publications	Show
Ferulic acid	Blueberry	Fruit, Berries	Publications	Show
Caffeic acid	Broccoli	Vegetables, Cabbages	Publications	Show
5-O-Caffeoylquinic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Ferulic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Caffeic acid	Carrot	Vegetables, Root vegetables	Publications	Show
5-O-Caffeoylquinic acid	Carrot	Vegetables, Root vegetables	Publications	Show
5-O-Caffeoylquinic acid	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	Cider	Beverages, Alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Cider	Beverages, Alcoholic	Publications	Show
Ferulic acid	Cocoa bean	Cocoa and cocoa products	Publications	Show
Caffeic acid	Coffee	Coffee and coffee products	Publications	Show
5-O-Caffeoylquinic acid	Coffee	Coffee and coffee products	Publications	Show
Ferulic acid	Coffee	Coffee and coffee products	Publications	Show
Ferulic acid	Common bean	Pulses and beans	Publications	Show
Ferulic acid	Common walnut	Nuts	Publications	Show
Caffeic acid	Common wheat	Cereals and cereal products	Publications	Show
Ferulic acid	Common wheat	Cereals and cereal products	Publications	Show
Ferulic acid	Corn	Cereals and cereal products	Publications	Show
Ferulic acid	Date	Fruit, Other fruits	Publications	Show
Caffeic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
5-O-Caffeoylquinic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Cyanidin 3-O-glucoside	Elderberry	Fruit, Berries	Publications	Show
Caffeic acid	European cranberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	European cranberry	Fruit, Berries	Publications	Show
Ferulic acid	European cranberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	European plum	Fruit, Drupes	Publications	Show
Caffeic acid	European plum	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	European plum	Fruit, Drupes	Publications	Show
Ferulic acid	Fennel	Herbs and Spices	Publications	Show
5-O-Caffeoylquinic acid	Globe artichoke	Vegetables, Other vegetables	Publications	Show
Ferulic acid	Grapefruit	Fruit, Citrus	Publications	Show
5-O-Caffeoylquinic acid	Green tea	Teas and herbal teas	Publications	Show
Ferulic acid	Hard wheat	Cereals and cereal products	Publications	Show
Cyanidin 3-O-glucoside	Lettuce	Vegetables, Leaf vegetables	Publications	Show
5-O-Caffeoylquinic acid	Lettuce	Vegetables, Leaf vegetables	Publications	Show
Caffeic acid	Mate	Teas and herbal teas	Publications	Show
5-O-Caffeoylquinic acid	Mate	Teas and herbal teas	Publications	Show
Cyanidin 3-O-glucoside	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, black	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Olive, black	Fruit, Drupes	Publications	Show
Ferulic acid	Olive, black	Fruit, Drupes	Publications	Show
Hydroxytyrosol	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, green	Fruit, Drupes	Publications	Show
Ferulic acid	Olive, green	Fruit, Drupes	Publications	Show
Hydroxytyrosol	Olive, green	Fruit, Drupes	Publications	Show
Ferulic acid	Orange juice	Beverages, Non-alcoholic	Publications	Show
Cyanidin 3-O-glucoside	Peach	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Peach	Fruit, Drupes	Publications	Show
Caffeic acid	Pear	Fruit, Pomes	Publications	Show
5-O-Caffeoylquinic acid	Pear	Fruit, Pomes	Publications	Show
Cyanidin 3-O-glucoside	Pomegranate juice	Beverages, Non-alcoholic	Publications	Show
5-O-Caffeoylquinic acid	Potato	Vegetables, Tubers	Publications	Show
Ferulic acid	Rapeseed	Oilseed crops	Publications	Show
Cyanidin 3-O-glucoside	Red raspberry	Fruit, Berries	Publications	Show
Ferulic acid	Red raspberry	Fruit, Berries	Publications	Show
Ferulic acid	Rice	Cereals and cereal products	Publications	Show
5-O-Caffeoylquinic acid	Roasted coffee	Coffee and coffee products	Publications	Show
Ferulic acid	Rosemary	Herbs and Spices	Publications	Show
Ferulic acid	Rye bread	Cereals and cereal products	Publications	Show
Ferulic acid	Spinach	Vegetables, Leaf vegetables	Publications	Show
Cyanidin 3-O-glucoside	Strawberry	Fruit, Berries	Publications	Show
Caffeic acid	Strawberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Strawberry	Fruit, Berries	Publications	Show
Ferulic acid	Strawberry	Fruit, Berries	Publications	Show
Cyanidin 3-O-glucoside	Sweet cherry	Fruit, Drupes	Publications	Show
Caffeic acid	Sweet cherry	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Sweet cherry	Fruit, Drupes	Publications	Show
Ferulic acid	Sweet orange	Fruit, Citrus	Publications	Show
Ferulic acid	Tarragon	Herbs and Spices	Publications	Show
Caffeic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
5-O-Caffeoylquinic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	White wine	Beverages, Alcoholic	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
Cyanidin 3-O-glucoside	3-Hydroxybenzoic acid	human	feces, urine	Not Available	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053		Publications
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
5-O-Caffeoylquinic acid	3-Hydroxybenzoic acid	rat	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053
Ferulic acid	3-Hydroxybenzoic acid	human rat	plasma, urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053		Publications
Orange flavanones	3-Hydroxybenzoic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₇H₆O₃	138.031694053	Detailed Intervention Studies	Publications
Green tea Flavan-3-ols	3-Hydroxybenzoic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	<1%	C₇H₆O₃	138.031694053	Detailed Intervention Studies	Publications
Cocoa Flavan-3-ols	3-Hydroxybenzoic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	<1%	C₇H₆O₃	138.031694053	Detailed Intervention Studies	Publications
Black tea Flavan-3-ols	3-Hydroxybenzoic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	<1%	C₇H₆O₃	138.031694053	Detailed Intervention Studies	Publications
Hydroxytyrosol	3-Hydroxybenzoic acid	human	plasma	gut microbiota metabolite	Not Available	2-5µmol/L	Not Available	C₇H₆O₃	138.031694053	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Cocoa Flavan-3-ols		3-Hydroxybenzoic acid	Microbiota	Effect, clusters	Publications

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Showing entry for 3-Hydroxybenzoic acid