PhytoHub: Showing entry for Isoferulic acid

Isoferulic acid

Identification

PhytoHub ID

PHUB000622

Name

Isoferulic acid

Systematic Name

3’-Hydroxy-4’-methoxycinnamic acid

Synonyms

3-(3-hydroxy-4-methoxyphenyl)acrylic acid
3-hydroxy-4-methoxycinnamic acid
hesperetate
Hesperetic acid

CAS Number

537-73-5

Average Mass

194.186

Monoisotopic Mass

194.057908802

Chemical Formula

C₁₀H₁₀O₄

IUPAC Name

(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

InChI Key

QURCVMIEKCOAJU-HWKANZROSA-N

InChI Identifier

InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

SMILES

COC1=C(O)C=C(\C=C\C(O)=O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.71e-01 g/l
LogS (ALOGPS): -2.35
LogP (ALOGPS): 1.56
Hydrogen Acceptors: 4
Hydrogen Donors: 2
Rotatable Bond Count: 3
Polar Surface Area: 66.76
Refractivity: 51.50400000000001
Polarizability: 19.407828698621252
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.889780750650177
pKa (strongest acidic): 3.5754283041637582
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 27794
PubChem: 736186
KNApSAcK: C00002752
MetaboLights: MTBLC27794
Phenol-Explorer: 485
FooDB (Compounds): FDB002700
PeakForestCompound: 000484

Taxonomy as Metabolite

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

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Caffeic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
5-O-Caffeoylquinic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Dihydrocaffeic acid	Polyphenols	Phenolic acids	Phenolic acids subclass not specified	Show Food Phytochemical
Orange flavanones	Polyphenols	Flavonoids	Flavanones	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
Coffee Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Globe artichoke (Poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Tomato (Poly)phenols	Polyphenols	Not specified	Not specified	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
Rosemary tea (poly)phenols	Polyphenols	Not specified	Not specified	Show Food Phytochemical
Yerba mate Chlorogenic acids	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", "Alkyl aryl ethers", "Anisoles", "Carbonyl compounds", "Carboxylic acids", "Cinnamic acids", "Coumaric acids and derivatives", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Monocarboxylic acids and derivatives", "Organic oxides", "Phenoxy compounds", "Styrenes"]
External Descriptor Annotations: ["ferulic acids"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Cinnamic acid", "Coumaric acid or derivatives", "Ether", "Hydrocarbon derivative", "Hydroxycinnamic acid", "Methoxybenzene", "Methoxyphenol", "Monocarboxylic acid or derivatives", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Styrene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.98927962,1.959606883);(44.99710422,5.222689603);(108.020578,1.151847188);(109.0284026,1.836659963);(119.0491377,1.028395496);(122.0362272,2.306288462);(123.0440518,2.000142934);(124.0518764,2.137213539);(125.059701,1.068289878);(133.0284026,1.911099261);(135.0440518,2.019228552);(146.0362272,3.065822366);(147.0440518,4.030436063);(148.0154921,1.04302016);(148.0518764,9.680317776);(149.059701,5.518116468);(150.0311413,1.443491017);(150.0675256,7.760907012);(151.0389659,1.685992456);(162.0311413,1.573312754);(163.0389659,1.743374252);(164.0467905,2.751282302);(165.0546151,1.810861572);(166.0624397,1.876608482);(176.0467905,6.035776801);(177.0546151,5.201178916);(178.0260554,2.970228519);(179.03388,4.42150397);(193.0495292,2.362254183);(194.0573538,11.10738176);(195.0607586,1.276671415)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,1.751571656);(71.03115062,0.876629067);(73.04679982,10.52186083);(74.04796012,0.9003160309);(74.05462442,0.7799821211);(75.02606472,3.248395212);(75.06244902,0.7457428928);(89.04171392,2.143209232);(90.04953852,0.7872740142);(181.0679264,1.663121275);(195.0835756,0.8429895745);(205.0679264,1.28317645);(207.0835756,1.273597904);(219.0835756,0.7993241044);(221.0992248,2.55432674);(237.0941389,0.9998761564);(248.0863143,0.8060508538);(249.0941389,3.264001618);(251.0734038,2.057898942);(255.0867151,1.4917313);(264.0812284,0.8394816373);(265.089053,3.10608655);(266.0968776,1.618444698);(267.1047022,1.622093723);(279.0867151,1.171531734);(293.1023643,1.589125584);(322.105103,1.523796788);(323.1129276,7.849190426);(324.1149254,2.15167855);(325.1126396,0.8591386402);(338.1364014,0.9956918462)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(43.98927962,0.9200752438);(44.99710422,2.601057077);(94.00492882,0.8610641097);(109.0284026,1.713726423);(119.0491377,0.8370802143);(122.0362272,1.7120476);(123.0440518,1.483074145);(124.0518764,1.583162713);(133.0284026,1.361038447);(135.0440518,1.239824199);(146.0362272,1.440820669);(147.0440518,2.563465022);(148.0518764,5.811540198);(149.059701,3.887942206);(150.0311413,1.027684725);(150.0675256,3.988224185);(151.0389659,1.245813218);(161.0233167,1.160213415);(162.0311413,1.120110528);(163.0389659,1.241184786);(164.0467905,1.958758844);(165.0546151,1.289231977);(166.0624397,1.336040093);(176.0467905,6.801528274);(177.0501851,0.7771702154);(177.0546151,2.771513414);(178.0260554,2.114636283);(179.03388,3.363741726);(193.0495292,1.681792621);(194.0573538,8.140956999);(195.0607586,0.9357135027)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(43.98927962,0.9200752438);(44.99710422,2.601057077);(94.00492882,0.8610641097);(109.0284026,1.713726423);(119.0491377,0.8370802143);(122.0362272,1.7120476);(123.0440518,1.483074145);(124.0518764,1.583162713);(133.0284026,1.361038447);(135.0440518,1.239824199);(146.0362272,1.440820669);(147.0440518,2.563465022);(148.0518764,5.811540198);(149.059701,3.887942206);(150.0311413,1.027684725);(150.0675256,3.988224185);(151.0389659,1.245813218);(161.0233167,1.160213415);(162.0311413,1.120110528);(163.0389659,1.241184786);(164.0467905,1.958758844);(165.0546151,1.289231977);(166.0624397,1.336040093);(176.0467905,6.801528274);(177.0501851,0.7771702154);(177.0546151,2.771513414);(178.0260554,2.114636283);(179.03388,3.363741726);(193.0495292,1.681792621);(194.0573538,8.140956999);(195.0607586,0.9357135027)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,0.8846739189);(71.03115062,0.7320601469);(73.04679982,7.008477973);(92.99710422,0.8015104282);(94.00492882,0.7046282063);(97.02840262,0.7987937577);(107.0127534,0.7537145638);(109.0284026,1.100080073);(123.0440518,0.8911764747);(165.0546151,1.233266069);(193.0495292,2.517044385);(194.0573538,2.633527306);(195.0651784,1.212806275);(197.0628405,0.7018281193);(205.0679264,1.873548441);(207.0835756,1.548958287);(219.0835756,1.063578275);(220.0914002,1.413775899);(221.0628405,1.006039084);(221.0992248,2.008937709);(222.0706651,0.7338077072);(222.1070494,0.9398718088);(223.0784897,1.119140835);(233.0628405,1.588088028);(236.0863143,0.8557893312);(248.0863143,1.287411082);(249.0941389,3.322616635);(250.0655792,1.815098656);(251.0734038,6.887633388);(252.0757847,1.299773805);(266.0968776,1.886991655)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,0.8384773292);(57.01550142,1.460340197);(59.03115062,1.586324963);(71.03115062,1.620447645);(72.03897522,0.8530541242);(73.01041552,0.9343361373);(73.04679982,10.48590593);(74.04796012,0.8972395056);(74.05462442,1.183094424);(75.02606472,3.115638626);(75.06244902,1.106207975);(89.04171392,3.012150273);(90.04953852,1.206186292);(91.05736312,0.9151515773);(147.0440518,1.892590712);(148.0518764,2.035691858);(149.059701,4.238168182);(150.0675256,1.956148789);(151.0753502,0.8829140301);(176.0467905,0.9180481508);(177.0546151,4.022486572);(193.0495292,2.351608672);(194.0573538,1.988090459);(195.0651784,1.340773184);(223.0784897,0.8554193593);(236.0863143,0.87599806);(249.0941389,1.086255314);(250.0655792,1.656297274);(251.0734038,7.199391021);(252.0757847,1.358605973);(266.0968776,2.261698605)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,1.055661101);(57.06987282,2.21010805);(59.03115062,0.9531656047);(59.08552202,0.7532311419);(75.02606472,0.9026131715);(92.99710422,0.7425328004);(97.02840262,0.8938551476);(107.0127534,0.7706147642);(109.0284026,1.266596895);(123.0440518,0.9856939013);(165.0546151,1.071695174);(183.0471913,0.9393475076);(193.0495292,2.035112388);(194.0573538,2.164091265);(195.0651784,1.164209282);(205.0679264,1.901666722);(207.0471913,0.9057544365);(207.0835756,2.28126922);(209.0992248,1.253805134);(221.0628405,1.118657399);(233.0628405,1.55448038);(235.0784897,1.413107231);(237.0577546,3.53214065);(250.0655792,1.519420857);(251.0734038,4.618203431);(252.0757847,0.8715068746);(252.0812284,2.397770792);(253.089053,2.992506418);(292.1125268,0.761487597);(293.1203514,3.59816745);(294.1228946,0.8030862207)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,0.8398057752);(55.05422362,1.08096841);(57.01550142,1.052349877);(57.06987282,2.930146271);(59.03115062,3.131626182);(59.08552202,0.7921994407);(73.01041552,1.502864675);(75.02606472,6.475309806);(77.04171392,2.066646648);(115.0937474,0.9641894104);(117.0730123,1.780198532);(131.0886615,0.9454598543);(147.0440518,1.063154858);(148.0518764,1.038079523);(149.059701,2.441704332);(150.0675256,0.8905593861);(177.0546151,2.785185811);(179.0702643,1.691301536);(193.0495292,1.630270569);(194.0573538,1.686164801);(195.0651784,1.242673256);(221.0628405,0.8719962106);(223.0784897,0.8459347372);(237.0577546,2.657648388);(250.0655792,1.695754941);(251.0734038,5.090979675);(252.0757847,0.9607250638);(252.0812284,2.782250662);(253.089053,1.362751095);(292.1125268,0.808568692);(293.1203514,2.394025944)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,0.7548341911);(57.06987282,1.279506546);(59.03115062,1.589088553);(73.01041552,1.076007236);(75.02606472,3.200391232);(115.0937474,0.6519730596);(205.0679264,0.9109709042);(207.0835756,1.911906623);(233.0628405,0.9237519858);(235.0784897,1.965234582);(251.0734038,3.536957717);(252.0757847,0.6674636601);(291.1410865,1.250050896);(297.1336627,0.9360352379);(307.0816292,2.216184898);(307.1360006,1.261157266);(309.0972784,7.496192679);(309.1516498,1.243189939);(310.0992134,1.968751227);(311.0968297,0.7978469272);(311.1129276,2.468588508);(335.1493119,0.8012760701);(351.144226,2.403990804);(352.1463347,0.7142626234);(365.1598752,3.730239861);(366.1620332,1.15118684);(366.1676998,1.040954958);(367.1755244,1.462243532);(406.1989982,0.8952029775);(407.2068228,3.016613009);(408.2091088,1.034973435)
LC-MS/MS	Quattro_QQQ	Negative	low	View Spectrum	(134.183,37.209);(149.199,7.219);(178.153,100.0);(193.16,63.566)
LC-MS/MS	Quattro_QQQ	Negative	med	View Spectrum	(106.241,9.375);(133.255,31.633);(134.019,100.0);(134.589,3.284);(178.021,14.158)
LC-MS/MS	Quattro_QQQ	Negative	high	View Spectrum	(77.373,9.934);(89.33,3.518);(104.167,2.276);(105.165,11.921);(105.773,2.98);(106.545,3.725);(108.198,8.32);(115.2,3.187);(132.14,7.368);(132.982,100.0);(133.606,12.252);(178.247,3.974)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.2,0.018018018);(95.4,0.003003003);(96.9,0.004004004);(110.1,0.005005005);(111.0,0.009009009);(134.0,0.012012012);(134.4,0.003003003);(148.8,0.011011011);(178.3,0.0910910911);(193.4,1.0)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.2,0.046046046);(95.1,0.028028028);(97.3,0.006006006);(106.2,0.002002002);(110.0,0.026026026);(111.2,0.015015015);(133.2,0.01001001);(133.8,1.0);(148.9,0.014014014);(149.4,0.005005005);(153.1,0.002002002);(178.3,0.7647647648);(193.1,0.1271271271)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.0,0.0680680681);(78.6,0.005005005);(95.0,0.034034034);(96.6,0.009009009);(106.1,0.0560560561);(110.1,0.036036036);(111.5,0.024024024);(118.9,0.004004004);(122.6,0.004004004);(128.7,0.005005005);(133.0,0.1901901902);(134.0,1.0);(149.6,0.005005005);(178.3,0.0780780781)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.1,0.2412412412);(63.1,0.0730730731);(80.0,0.0680680681);(80.8,0.037037037);(81.8,0.016016016);(95.1,0.1671671672);(105.9,0.0680680681);(110.9,0.031031031);(132.8,1.0);(133.8,0.4084084084);(177.8,0.016016016)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.3,0.1061061061);(63.1,0.0850850851);(78.7,0.1281281281);(94.8,0.0740740741);(104.5,0.0640640641);(107.6,0.0740740741);(114.8,0.043043043);(132.3,0.1491491491);(133.0,1.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(110.0002,999.0);(111.0035,46.0);(115.0541,142.0);(117.0341,21.0);(119.0137,34.0);(120.994,29.0);(127.0544,55.0);(135.0082,101.0);(136.987,385.0);(137.9932,129.0);(139.0541,594.0);(140.0576,67.0);(141.0368,52.0);(143.0493,121.0);(145.0417,24.0);(155.0477,42.0);(163.0019,155.0);(165.9893,258.0);(167.0492,244.0);(168.0534,25.0);(171.0441,81.0);(183.0441,124.0);(184.0505,43.0);(195.0434,178.0);(211.0393,255.0);(212.0423,32.0);(223.0385,108.0);(224.04,21.0);(239.0329,490.0);(240.0386,58.0);(267.028,106.0);(268.0332,49.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(110.0002,999.0);(111.0035,46.0);(115.0541,142.0);(117.0341,21.0);(119.0137,34.0);(120.994,29.0);(127.0544,55.0);(135.0082,101.0);(136.987,385.0);(137.9932,129.0);(139.0541,594.0);(140.0576,67.0);(141.0368,52.0);(143.0493,121.0);(145.0417,24.0);(155.0477,42.0);(163.0019,155.0);(165.9893,258.0);(167.0492,244.0);(168.0534,25.0);(171.0441,81.0);(183.0441,124.0);(184.0505,43.0);(195.0434,178.0);(211.0393,255.0);(212.0423,32.0);(223.0385,108.0);(224.04,21.0);(239.0329,490.0);(240.0386,58.0);(267.028,106.0);(268.0332,49.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(110.0002,999.0);(111.0035,46.0);(115.0541,142.0);(117.0341,21.0);(119.0137,34.0);(120.994,29.0);(127.0544,55.0);(135.0082,101.0);(136.987,385.0);(137.9932,129.0);(139.0541,594.0);(140.0576,67.0);(141.0368,52.0);(143.0493,121.0);(145.0417,24.0);(155.0477,42.0);(163.0019,155.0);(165.9893,258.0);(167.0492,244.0);(168.0534,25.0);(171.0441,81.0);(183.0441,124.0);(184.0505,43.0);(195.0434,178.0);(211.0393,255.0);(212.0423,32.0);(223.0385,108.0);(224.04,21.0);(239.0329,490.0);(240.0386,58.0);(267.028,106.0);(268.0332,49.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(110.0002,999.0);(111.0035,46.0);(115.0541,142.0);(117.0341,21.0);(119.0137,34.0);(120.994,29.0);(127.0544,55.0);(135.0082,101.0);(136.987,385.0);(137.9932,129.0);(139.0541,594.0);(140.0576,67.0);(141.0368,52.0);(143.0493,121.0);(145.0417,24.0);(155.0477,42.0);(163.0019,155.0);(165.9893,258.0);(167.0492,244.0);(168.0534,25.0);(171.0441,81.0);(183.0441,124.0);(184.0505,43.0);(195.0434,178.0);(211.0393,255.0);(212.0423,32.0);(223.0385,108.0);(224.04,21.0);(239.0329,490.0);(240.0386,58.0);(267.028,106.0);(268.0332,49.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(121.0292,20.0);(133.0296,20.0);(134.0377,574.0);(135.0407,48.0);(137.0247,72.0);(178.0277,999.0);(179.0305,88.0);(193.0512,981.0);(194.0541,93.0);(292.9754,20.0);(385.0938,625.0);(386.0968,124.0);(387.1,25.0);(407.0752,81.0);(409.0906,281.0);(410.0937,61.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(121.0292,20.0);(133.0296,20.0);(134.0377,574.0);(135.0407,48.0);(137.0247,72.0);(178.0277,999.0);(179.0305,88.0);(193.0512,981.0);(194.0541,93.0);(292.9754,20.0);(385.0938,625.0);(386.0968,124.0);(387.1,25.0);(407.0752,81.0);(409.0906,281.0);(410.0937,61.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0219,212.0);(133.0293,999.0);(134.0347,154.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(134.0374,403.0);(135.0405,28.0);(137.0245,57.0);(149.0579,29.0);(178.0275,999.0);(179.0306,72.0);(193.0509,422.0);(194.0535,32.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(106.0432,21.0);(132.0223,52.0);(133.0293,999.0);(134.0367,638.0);(135.04,53.0);(178.0269,21.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(105.0336,66.0);(115.0192,110.0);(132.0205,627.0);(133.0295,999.0);(134.033,68.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(121.0292,20.0);(133.0296,20.0);(134.0377,574.0);(135.0407,48.0);(137.0247,72.0);(178.0277,999.0);(179.0305,88.0);(193.0512,981.0);(194.0541,93.0);(292.9754,20.0);(385.0938,625.0);(386.0968,124.0);(387.1,25.0);(407.0752,81.0);(409.0906,281.0);(410.0937,61.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(121.0292,26.0);(133.0293,190.0);(134.0376,999.0);(135.0406,59.0);(137.0244,124.0);(139.0388,27.0);(178.027,228.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.2,1.797484);(95.4,0.299581);(96.9,0.359497);(110.1,0.519273);(111.0,0.858798);(134.0,1.238266);(134.4,0.299581);(148.8,1.138406);(178.3,9.067306);(193.4,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.2,4.558969);(95.1,2.775025);(97.3,0.594648);(106.2,0.24777);(110.0,2.626363);(111.2,1.536174);(133.2,0.99108);(133.8,100.0);(148.9,1.437066);(149.4,0.49554);(153.1,0.198216);(178.3,76.511397);(193.1,12.735382)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.0,6.811146);(78.6,0.515996);(95.0,3.405573);(96.6,0.928793);(106.1,5.572755);(110.1,3.611971);(111.5,2.373581);(118.9,0.412797);(122.6,0.412797);(128.7,0.515996);(133.0,18.988648);(134.0,100.0);(149.6,0.515996);(178.3,7.843137)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.1,24.08377);(63.1,7.329843);(80.0,6.806283);(80.8,3.664921);(81.8,1.570681);(95.1,16.753927);(105.9,6.806283);(110.9,3.141361);(132.8,100.0);(133.8,40.837696);(177.8,1.570681)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.3,10.638298);(63.1,8.510638);(78.7,12.765957);(94.8,7.446809);(104.5,6.382979);(107.6,7.446809);(114.8,4.255319);(132.3,14.893617);(133.0,100.0)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(132.0219,21.221221);(133.0293,100.0);(134.0347,15.415415)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(134.0374,40.34034);(135.0405,2.802803);(137.0245,5.705706);(149.0579,2.902903);(178.0275,100.0);(179.0306,7.207207);(193.0509,42.242242);(194.0535,3.203203)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(106.0432,2.102102);(132.0223,5.205205);(133.0293,100.0);(134.0367,63.863864);(135.04,5.305305);(178.0269,2.102102)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(105.0336,6.606607);(115.0192,11.011011);(132.0205,62.762763);(133.0295,100.0);(134.033,6.806807)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(121.0292,2.602603);(133.0293,19.019019);(134.0376,100.0);(135.0406,5.905906);(137.0244,12.412412);(139.0388,2.702703);(178.027,22.822823)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(78.046463,31.679942);(89.03759,100.0);(89.65197,3.584359);(105.034889,17.921796);(106.040077,23.931933);(107.046654,5.829109);(117.032471,29.833454);(118.042992,6.480811);(119.041389,6.227371);(134.037018,58.689356);(145.028946,19.623461);(149.058655,49.601738);(162.034698,3.548154);(163.042328,22.411296);(176.541885,4.779146);(177.056732,96.125996);(177.196503,4.199855);(178.12323,4.199855);(1907.8573,29.326575)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(134.0374,40.34);(135.0405,2.8);(137.0245,5.71);(149.0579,2.9);(178.0275,100.0);(179.0306,7.21);(193.0509,42.24);(194.0535,3.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(106.0432,2.1);(132.0223,5.21);(133.0293,100.0);(134.0367,63.86);(135.04,5.31);(178.0269,2.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(132.0219,21.22);(133.0293,100.0);(134.0347,15.42)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.0292,2.6);(133.0293,19.02);(134.0376,100.0);(135.0406,5.91);(137.0244,12.41);(139.0388,2.7);(178.027,22.82)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(25.0078,1.19);(25.5255,1.48);(26.2722,1.98);(26.8037,1.37);(27.3835,2.39);(28.0529,1.38);(28.572,1.56);(29.2219,1.65);(30.0204,1.92);(30.5764,1.0);(31.2043,1.44);(32.0641,1.21);(32.9897,1.34);(33.7816,2.01);(34.5654,2.06);(35.1038,1.03);(35.6958,1.5);(36.3608,1.75);(37.3376,1.68);(38.2867,1.82);(38.9854,1.34);(39.5527,2.44);(40.1801,2.1);(41.0305,1.6);(41.6532,1.26);(42.2363,3.47);(42.9979,20.95);(43.6676,1.69);(44.3495,1.05);(44.9952,3.45);(45.9559,1.45);(46.5679,1.47);(47.3487,1.7);(48.1391,1.05);(48.6488,1.91);(49.3979,1.42);(50.0575,2.34);(50.6058,1.5);(51.3548,1.51);(52.3569,2.41);(53.345,1.5);(54.2566,1.99);(55.072,1.68);(55.8337,3.13);(56.5783,1.73);(57.2441,1.03);(57.7893,1.57);(58.6624,1.01);(59.2311,1.41);(59.7839,1.31);(60.2989,1.68);(61.3323,1.3);(62.1393,1.54);(62.6899,1.79);(63.7254,2.21);(64.2705,1.26);(64.7731,2.29);(65.4046,1.21);(66.1677,1.63);(66.7687,2.84);(67.5552,3.33);(68.1754,1.4);(68.9521,1.07);(69.5128,1.87);(70.0583,2.0);(70.596,1.11);(71.3186,1.59);(71.9568,1.59);(72.7203,2.68);(73.3937,1.74);(73.9655,2.71);(75.0693,1.98);(76.2339,1.58);(77.0316,4.35);(77.7039,1.68);(78.3744,1.64);(79.0693,1.4);(79.7186,4.47);(80.6537,1.46);(81.7209,1.48);(82.584,1.6);(83.094,1.52);(83.7629,1.64);(84.2797,1.17);(84.8485,1.76);(85.7864,1.73);(86.5014,1.37);(87.0282,2.49);(88.0257,1.79);(89.0338,4.98);(89.8857,2.01);(90.4376,1.3);(91.0307,1.42);(92.1647,1.91);(93.0257,4.17);(93.5967,1.84);(94.2559,1.57);(94.812,1.66);(95.424,2.02);(96.5015,1.59);(97.4137,1.81);(98.1998,1.71);(98.8829,1.0);(99.6581,1.37);(100.9472,1.75);(101.9906,1.94);(102.9762,2.02);(104.0163,2.37);(105.0293,7.45);(106.0401,4.93);(106.8888,2.65);(107.4666,1.6);(108.0131,4.38);(108.8105,1.81);(109.6083,2.11);(110.5095,1.44);(111.0253,1.36);(111.7837,1.48);(112.3593,2.4);(113.0059,1.55);(113.6937,1.37);(114.3323,2.17);(115.0186,3.86);(116.0619,1.51);(116.9465,2.13);(117.4595,1.23);(118.2015,1.38);(118.8445,1.62);(119.8634,1.74);(120.3662,1.06);(121.1,1.43);(121.9213,1.74);(122.555,1.25);(123.5935,2.0);(124.2524,1.59);(124.7689,1.7);(125.6894,1.51);(126.5462,1.77);(127.2689,1.63);(128.046,1.63);(128.6765,1.39);(129.5352,2.05);(130.5424,1.55);(131.0607,1.97);(132.0141,14.5);(133.0263,100.0);(134.04,3.89);(134.7458,1.38);(135.4753,2.3);(136.1089,1.85);(136.6926,1.51);(137.693,2.03);(138.279,2.97);(138.8938,1.47);(139.7621,2.2);(140.7468,1.31);(141.6163,1.76);(142.3411,2.4);(142.9326,1.3);(143.5759,1.86);(144.6993,1.48);(145.4052,2.32);(145.9543,1.57);(146.5857,2.26);(147.2056,5.31);(148.1257,2.02);(148.9149,2.54);(149.8294,2.0);(150.4344,1.28);(150.974,2.18);(151.7914,2.27);(152.7247,1.69);(153.3576,1.32);(154.0741,1.77);(154.622,1.36);(155.3246,1.12);(155.942,1.87);(156.8522,1.89);(157.8778,1.62);(158.5228,1.53);(159.0449,1.49);(159.8831,3.15);(160.5833,1.21);(161.497,4.85);(162.4923,1.31);(163.011,1.85);(163.6416,1.75);(164.6285,1.37);(165.2144,1.61);(165.8585,1.43);(166.5516,1.59);(167.1219,3.01);(167.7695,1.77);(168.4693,1.7);(169.6326,2.81);(170.5763,2.21);(171.1844,1.89);(171.9305,1.28);(172.4368,2.63);(173.4598,2.94);(174.0094,1.02);(174.5575,2.45);(175.302,1.98);(175.8457,1.57);(176.5227,2.6);(177.4394,1.76);(178.5292,2.05);(179.0417,1.6);(179.7348,2.64);(180.3952,1.15);(181.0375,2.04);(181.9443,1.48);(182.6869,1.31);(183.3045,1.49);(184.6574,1.66);(185.3853,2.13);(186.033,2.37);(186.8212,1.09);(187.4342,1.77);(188.5981,1.55);(189.1168,2.25);(190.1734,2.06);(190.8178,1.6);(191.5056,1.61);(192.2638,1.51);(192.9624,1.23)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0336,6.61);(115.0192,11.01);(132.0205,62.76);(133.0295,100.0);(134.033,6.81)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(104.9906,1.54);(106.0425,1.45);(130.9873,1.14);(133.028,9.2);(134.0349,100.0);(146.982,6.01);(148.9907,1.68);(178.0276,4.78)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(133.0219,1.41);(134.0351,100.0);(146.9806,4.82);(149.0596,1.47);(178.0249,42.57);(193.0487,19.61)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.073875698);(44.99765427,0.1025708876);(55.01838972,0.4062467991);(57.03403978,0.0641113836);(71.01330434,1.414016078);(71.04968984,0.1554631615);(73.0289544,0.3265756319);(79.01838972,0.0388843241);(95.01330434,0.0981114033);(97.0289544,0.081725923);(119.0496898,0.0963705971);(121.0289544,0.0402756915);(123.0446045,1.639480823);(125.023869,0.0414849776);(125.0602545,0.5527698308);(133.0289544,0.1105684582);(135.0446045,0.1274807008);(147.0446045,0.3146192927);(149.023869,0.0919505511);(149.0602545,9.943074217);(151.0395191,0.1532462183);(151.0759046,0.9541072295);(153.0551691,0.0630300103);(161.023869,0.1989490686);(163.0395191,0.960502693);(165.0551691,0.6814282768);(167.0344337,0.0795812415);(169.0500838,0.0548635929);(177.0551691,36.05847974);(179.0344337,0.2945673414);(195.0657338,44.78158816)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(47.04968984,0.3056865683);(51.0234751,0.8873194086);(55.01838972,1.430591141);(71.01330434,4.238569863);(71.04968984,0.2716152672);(73.0289544,0.2849488991);(73.06533991,0.3784107063);(79.01838972,0.5252918918);(81.03403978,0.5659805632);(95.01330434,0.7965931935);(97.0289544,0.6684481072);(99.04460446,0.2737644809);(107.0496898,0.3120166529);(119.0496898,1.296425852);(121.0289544,0.3074604681);(121.0653399,0.6861221828);(123.0446045,3.760350132);(125.0602545,0.6971826801);(133.0289544,0.7623046534);(135.0446045,1.180203173);(147.0446045,0.7115811055);(149.0602545,30.44981754);(151.0395191,0.5944854804);(151.0759046,2.136695058);(161.023869,0.4611640224);(163.0395191,1.473422182);(165.0551691,2.855219102);(167.0344337,0.2746230324);(177.0551691,25.3684391);(179.0344337,0.3928609686);(195.0657338,15.65240653)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,3.36423102);(44.99765427,0.8200810112);(51.0234751,7.920185516);(53.03912516,1.218106373);(55.01838972,1.931161655);(71.01330434,6.487386676);(77.03912516,7.940486815);(79.01838972,1.049561771);(81.03403978,1.090174183);(93.03403978,4.438731742);(95.01330434,1.539904177);(103.0183897,1.803065082);(105.0340398,2.97552833);(107.0496898,1.725851421);(109.0289544,1.592779907);(119.0496898,6.763059768);(121.0289544,2.039794554);(121.0653399,1.052358873);(123.0446045,9.830929943);(133.0289544,7.714490711);(133.0653399,2.313406102);(135.0446045,5.412559817);(147.0446045,1.975985523);(149.023869,0.5750281097);(149.0602545,10.38961095);(151.0759046,1.223986406);(161.023869,0.6177524552);(163.0395191,0.8253553678);(165.0551691,0.638852529);(177.0551691,2.04110205);(179.0344337,0.6884911674)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0570817742);(17.00273965,0.2332176798);(31.01838972,0.2530952513);(41.00273965,0.0690092744);(44.99765427,0.1618893303);(55.01838972,0.2379939764);(57.03403978,0.1225414015);(68.99765427,0.0219634255);(69.03403978,0.0403900134);(71.01330434,0.0968038646);(95.01330434,0.0333963633);(117.0340398,0.1077574422);(119.0496898,0.1058443521);(121.0289544,0.0800438191);(123.0446045,0.1573939603);(131.0133043,0.0206294866);(131.0496898,0.137543647);(133.0289544,1.176284066);(137.023869,0.0546233456);(145.0289544,0.0268536638);(147.0446045,0.8144774272);(149.023869,0.0379696764);(149.0602545,11.92311948);(151.0395191,0.1187260439);(161.023869,0.3654232009);(163.0395191,0.3928005449);(165.0187836,0.0973749788);(167.0344337,0.415059489);(175.0395191,4.157421622);(177.0187836,0.8865819924);(193.0500838,77.59668941)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.3185845557);(31.01838972,0.235284254);(44.99765427,1.186189836);(93.03403978,0.3084393946);(95.01330434,0.2306363797);(103.0183897,0.2043810299);(107.0496898,0.321077143);(117.0340398,1.331030894);(119.0133043,1.127359385);(119.0496898,0.9350457259);(121.0289544,0.770825552);(123.0446045,0.3304905785);(131.0133043,0.486735718);(131.0496898,0.290737243);(133.0289544,7.709963339);(135.008219,0.8281719093);(137.023869,0.6443534461);(145.0289544,0.3573277158);(147.008219,0.6550160364);(147.0446045,2.571039959);(149.023869,0.7685854026);(149.0602545,15.32179094);(151.0395191,1.152764979);(159.008219,0.552410218);(161.023869,1.520974038);(163.0395191,1.596139057);(165.0187836,0.7435802319);(167.0344337,0.5987254613);(175.0395191,6.573046467);(177.0187836,7.905603178);(193.0500838,42.42368993)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,2.750516195);(44.99765427,7.656919474);(55.01838972,2.675399414);(71.01330434,1.458117908);(75.0234751,1.373893952);(77.03912516,1.095045083);(91.01838972,1.441845839);(103.0183897,2.906275198);(105.0340398,1.355982691);(107.0133043,2.358988975);(117.0340398,4.733817527);(119.0133043,3.832459254);(119.0496898,3.043654789);(121.0289544,3.226170137);(128.9976543,1.667147678);(131.0133043,3.020756383);(133.0289544,15.6477487);(135.008219,2.475099781);(137.023869,1.138590394);(145.0289544,3.3183527);(147.008219,4.413721142);(147.0446045,1.592545257);(149.023869,1.506666362);(149.0602545,2.088818708);(151.0395191,0.9071432818);(159.008219,2.686808951);(161.023869,1.507495739);(163.0395191,2.455081623);(175.0395191,6.183285097);(177.0187836,8.12042927);(193.0500838,1.361222498)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(149.05971,18.52);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(195.06519,84.34);(195.06519,84.34);(195.06519,84.34);(195.06519,84.34);(195.06519,84.34);(195.06519,84.34);(195.06519,84.34)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(55.01784,7.84);(55.01784,7.84);(79.05423,7.23);(107.04914,6.91);(107.04914,6.91);(107.04914,6.91);(107.04914,6.91);(109.02841,6.58);(109.02841,6.58);(109.02841,6.58);(117.03349,8.95);(119.04914,6.58);(119.04914,6.58);(121.06479,6.76);(121.06479,6.76);(123.04406,11.99);(123.04406,11.99);(123.04406,11.99);(123.04406,11.99);(123.04406,11.99);(123.04406,11.99);(125.05971,13.01);(125.05971,13.01);(125.05971,13.01);(125.05971,13.01);(125.05971,13.01);(145.02841,16.13);(147.04406,10.89);(147.04406,10.89);(147.04406,10.89);(147.04406,10.89);(147.04406,10.89);(147.04406,10.89);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(149.05971,100.0);(151.07536,7.03);(151.07536,7.03);(151.07536,7.03);(151.07536,7.03);(151.07536,7.03);(151.07536,7.03);(151.07536,7.03);(163.03897,6.55);(163.03897,6.55);(163.03897,6.55);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(177.05462,69.81);(195.06519,61.19);(195.06519,61.19);(195.06519,61.19);(195.06519,61.19);(195.06519,61.19);(195.06519,61.19);(195.06519,61.19)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.02293,19.04);(63.02293,50.94);(65.03858,37.6);(65.03858,37.6);(75.02293,39.91);(77.03858,100.0);(79.01784,9.23);(79.01784,9.23);(79.05423,44.14);(81.03349,11.77);(81.03349,11.77);(81.03349,11.77);(91.01784,9.15);(91.01784,9.15);(93.03349,8.84);(93.03349,8.84);(93.03349,8.84);(93.03349,8.84);(103.01784,15.35);(103.01784,15.35);(103.01784,15.35);(105.03349,34.01);(105.03349,34.01);(105.03349,34.01);(107.04914,25.52);(107.04914,25.52);(107.04914,25.52);(107.04914,25.52);(117.03349,30.08);(119.04914,31.24);(119.04914,31.24);(121.06479,10.93);(121.06479,10.93);(123.04406,32.24);(123.04406,32.24);(123.04406,32.24);(123.04406,32.24);(123.04406,32.24);(123.04406,32.24);(133.02841,15.63);(133.02841,15.63);(133.02841,15.63);(133.02841,15.63);(135.04406,11.2);(135.04406,11.2);(135.04406,11.2);(139.03897,8.95);(145.02841,16.97);(147.04406,16.27);(147.04406,16.27);(147.04406,16.27);(147.04406,16.27);(147.04406,16.27);(147.04406,16.27);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(149.05971,49.46);(175.03897,11.6);(175.03897,11.6)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(133.0295,22.65);(133.0295,22.65);(149.0608,100.0);(149.0608,100.0);(149.0608,100.0);(149.0608,100.0);(149.0608,100.0);(193.05063,25.21);(193.05063,25.21);(193.05063,25.21);(193.05063,25.21);(193.05063,25.21)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(133.0295,100.0);(133.0295,100.0);(149.0608,14.46);(149.0608,14.46);(149.0608,14.46);(149.0608,14.46);(149.0608,14.46)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(77.03967,6.87);(105.03459,10.19);(117.03459,18.31);(119.05024,12.97);(119.05024,12.97);(131.01385,14.43);(133.0295,100.0);(133.0295,100.0);(147.04515,13.69);(147.04515,13.69);(147.04515,13.69);(149.0608,4.86);(149.0608,4.86);(149.0608,4.86);(149.0608,4.86);(149.0608,4.86);(175.00368,4.44)

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
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
5-O-Caffeoylquinic acid	Apricot	Fruit, Drupes	Publications	Show
Caffeic acid	Beer	Beverages, Alcoholic	Publications	Show
Caffeic acid	Blackberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Blackberry	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
Dihydrocaffeic acid	Blueberry	Fruit, Berries		Show
Caffeic acid	Broccoli	Vegetables, Cabbages	Publications	Show
5-O-Caffeoylquinic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Dihydrocaffeic acid	Broccoli	Vegetables, Cabbages		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
Dihydrocaffeic acid	Cider	Beverages, Alcoholic		Show
Caffeic acid	Coffee	Coffee and coffee products	Publications	Show
5-O-Caffeoylquinic acid	Coffee	Coffee and coffee products	Publications	Show
Dihydrocaffeic acid	Coffee	Coffee and coffee products		Show
Caffeic acid	Common wheat	Cereals and cereal products	Publications	Show
Dihydrocaffeic acid	Common wheat	Cereals and cereal products		Show
Dihydrocaffeic acid	Corn	Cereals and cereal products		Show
Caffeic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
5-O-Caffeoylquinic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	European cranberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	European cranberry	Fruit, Berries	Publications	Show
Caffeic acid	European plum	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	European plum	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Globe artichoke	Vegetables, Other vegetables	Publications	Show
Dihydrocaffeic acid	Grapes	Fruit, Berries		Show
5-O-Caffeoylquinic acid	Green tea	Teas and herbal teas	Publications	Show
Dihydrocaffeic acid	Lemon	Fruit, Citrus		Show
5-O-Caffeoylquinic acid	Lettuce	Vegetables, Leaf vegetables	Publications	Show
Dihydrocaffeic acid	Lettuce	Vegetables, Leaf vegetables		Show
Dihydrocaffeic acid	Lime	Fruit, Citrus		Show
Caffeic acid	Mate	Teas and herbal teas	Publications	Show
5-O-Caffeoylquinic acid	Mate	Teas and herbal teas	Publications	Show
Caffeic acid	Olive, black	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Olive, black	Fruit, Drupes	Publications	Show
Dihydrocaffeic acid	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, green	Fruit, Drupes	Publications	Show
Dihydrocaffeic acid	Olive, green	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
5-O-Caffeoylquinic acid	Potato	Vegetables, Tubers	Publications	Show
5-O-Caffeoylquinic acid	Roasted coffee	Coffee and coffee products	Publications	Show
Dihydrocaffeic acid	Spinach	Vegetables, Leaf vegetables		Show
Caffeic acid	Strawberry	Fruit, Berries	Publications	Show
5-O-Caffeoylquinic acid	Strawberry	Fruit, Berries	Publications	Show
Caffeic acid	Sweet cherry	Fruit, Drupes	Publications	Show
5-O-Caffeoylquinic acid	Sweet cherry	Fruit, Drupes	Publications	Show
Caffeic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
5-O-Caffeoylquinic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Dihydrocaffeic acid	Wheat bread	Cereals and cereal products		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	Isoferulic acid	human rat	feces, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₀O₄	194.057908802		Publications
5-O-Caffeoylquinic acid	Isoferulic acid	rat	urine	host metabolism	Not Available	Not Available	Not Available	C₁₀H₁₀O₄	194.057908802
Orange flavanones	Isoferulic acid	human	urine	gut microbiota metabolite	Not Available	Not Available	1-5%	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Cocoa Flavan-3-ols	Isoferulic acid	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies
Black tea Flavan-3-ols	Isoferulic acid	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	<1%	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Coffee Chlorogenic acids	Isoferulic acid	human	plasma	host metabolism	<1h	50-200 nmol/L	Not Available	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Globe artichoke (Poly)phenols	Isoferulic acid	human	plasma, urine	host metabolism	1h-3h	50-200 nmol/L	<1%	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Tomato (Poly)phenols	Isoferulic acid	human	plasma	host metabolism	1h-3h	200-500 nmol/L	Not Available	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Blueberry (Poly)phenols	Isoferulic acid	human	plasma	host-gut microbiota co-metabolite	8h-12h	50-200 nmol/L	Not Available	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Cranberry (Poly)phenols	Isoferulic acid	human	plasma, urine	host-gut microbiota co-metabolite	8h-12h	2-5µmol/L	1-5%	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Rosemary tea (poly)phenols	Isoferulic acid	human	plasma	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	Not Available	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications
Yerba mate Chlorogenic acids	Isoferulic acid	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	<1%	C₁₀H₁₀O₄	194.057908802	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

Food Phytochemical	Metabolite	Effect	Value
Black tea Flavan-3-ols	Isoferulic acid	Microbiota	Effect, clusters	Publications
Coffee Chlorogenic acids	Isoferulic acid	Microbiota	Effect, clusters	Publications
Globe artichoke (Poly)phenols	Isoferulic acid	Microbiota	Effect, clusters	Publications

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Showing entry for Isoferulic acid