PhytoHub: Showing entry for Gallic acid ethyl ester

Gallic acid ethyl ester

Identification

PhytoHub ID

PHUB000306

Name

Gallic acid ethyl ester

Systematic Name

Not Available

Synonyms

Ethyl gallate

CAS Number

Not Available

Average Mass

198.174

Monoisotopic Mass

198.052823422

Chemical Formula

C₉H₁₀O₅

IUPAC Name

ethyl 3,4,5-trihydroxybenzoate

InChI Key

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

SMILES

CCOC(=O)C1=CC(O)=C(O)C(O)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.42e+00 g/l
LogS (ALOGPS): -1.76
LogP (ALOGPS): 1.48
Hydrogen Acceptors: 4
Hydrogen Donors: 3
Rotatable Bond Count: 3
Polar Surface Area: 86.99000000000001
Refractivity: 48.7746
Polarizability: 19.05854185732917
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -5.548889272896792
pKa (strongest acidic): 8.11005930851721
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 87247
PubChem: 13250
Chemistry Dashboard: DTXSID2061195
KNApSAcK: C00030222
Phenol-Explorer: 439
FooDB (Compounds): FDB012004
PeakForestCompound: 000267

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Benzene and substituted derivatives
Super-class: Benzenoids
Sub-class: Benzoic acids and derivatives
Direct Parent Name: Galloyl esters
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzoyl derivatives", "Carboxylic acid esters", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Polyols", "Pyrogallols and derivatives", "m-Hydroxybenzoic acid esters", "p-Hydroxybenzoic acid alkyl esters"]
External Descriptor Annotations: ["gallate ester"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenetriol", "Benzoate ester", "Benzoyl", "Carboxylic acid derivative", "Carboxylic acid ester", "Galloyl ester", "Hydrocarbon derivative", "M-hydroxybenzoic acid ester", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "P-hydroxybenzoic acid alkyl ester", "P-hydroxybenzoic acid ester", "Phenol", "Polyol", "Pyrogallol derivative"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.004);(76.0,0.004);(77.0,0.02);(79.0,0.011);(80.0,0.004);(81.0,0.002);(83.0,0.009);(85.0,0.006);(89.0,0.006);(90.0,0.004);(91.0,0.021);(92.0,0.002);(96.0,0.005);(97.0,0.005);(103.0,0.013);(104.0,0.004);(105.0,0.013);(106.0,0.004);(107.0,0.005);(109.0,0.004);(111.0,0.004);(112.0,0.002);(115.0,0.01);(117.0,0.007);(118.0,0.005);(119.0,0.016);(120.0,0.002);(121.0,0.005);(123.0,0.002);(124.0,0.002);(128.0,0.002);(129.0,0.002);(131.0,0.02);(133.0,0.097);(134.0,0.012);(135.0,0.024);(136.0,0.006);(143.0,0.004);(150.0,0.005);(151.0,0.006);(152.0,0.002);(153.0,0.004);(155.0,0.002);(156.0,0.001);(157.0,0.005);(158.0,0.002);(161.0,0.005);(163.0,0.007);(164.0,0.006);(167.0,0.009);(168.0,0.004);(169.0,0.001);(172.0,0.001);(173.0,0.001);(177.0,0.011);(179.0,0.093);(180.0,0.016);(181.0,0.016);(182.0,0.004);(184.0,0.001);(188.0,0.002);(191.0,0.011);(192.0,0.005);(193.0,0.021);(194.0,0.004);(195.0,0.011);(196.0,0.002);(197.0,0.006);(202.0,0.001);(203.0,0.001);(205.0,0.004);(207.0,0.029);(208.0,0.011);(209.0,0.021);(210.0,0.009);(211.0,0.015);(212.0,0.005);(215.0,0.001);(221.0,0.005);(223.0,0.012);(224.0,0.002);(225.0,0.005);(228.0,0.001);(235.0,0.005);(236.0,0.001);(237.0,0.023);(238.0,0.006);(239.0,0.098);(240.0,0.021);(241.0,0.007);(242.0,0.002);(247.0,0.001);(249.0,0.002);(250.0,0.001);(251.0,0.016);(252.0,0.005);(253.0,0.02);(254.0,0.009);(255.0,0.006);(256.0,0.001);(258.0,0.001);(265.0,0.005);(266.0,0.002);(267.0,0.013);(268.0,0.005);(269.0,0.002);(270.0,0.001);(279.0,0.004);(281.0,1.0);(282.0,0.222);(283.0,0.105);(284.0,0.017);(285.0,0.004);(287.0,0.001);(293.0,0.001);(295.0,0.015);(296.0,0.005);(297.0,0.001);(299.0,0.001);(306.0,0.001);(309.0,0.001);(311.0,0.083);(312.0,0.018);(313.0,0.01);(325.0,0.001);(326.0,0.017);(327.0,0.007);(328.0,0.002);(333.0,0.001);(341.0,0.006);(342.0,0.002);(344.0,0.001);(351.0,0.001);(355.0,0.006);(356.0,0.001);(367.0,0.001);(369.0,0.047);(370.0,0.017);(371.0,0.005);(372.0,0.002);(383.0,0.001);(399.0,0.026);(400.0,0.009);(401.0,0.005);(402.0,0.001);(405.0,0.002);(406.0,0.001);(414.0,0.353);(415.0,0.119);(416.0,0.055);(417.0,0.012);(418.0,0.002);(425.0,0.001);(445.0,0.001);(451.0,0.001);(504.0,0.001);(513.0,0.001);(522.0,0.001);(550.0,0.001)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.004);(76.0,0.004);(77.0,0.02);(79.0,0.011);(80.0,0.004);(81.0,0.002);(83.0,0.009);(85.0,0.006);(89.0,0.006);(90.0,0.004);(91.0,0.021);(92.0,0.002);(96.0,0.005);(97.0,0.005);(103.0,0.013);(104.0,0.004);(105.0,0.013);(106.0,0.004);(107.0,0.005);(109.0,0.004);(111.0,0.004);(112.0,0.002);(115.0,0.01);(117.0,0.007);(118.0,0.005);(119.0,0.016);(120.0,0.002);(121.0,0.005);(123.0,0.002);(124.0,0.002);(128.0,0.002);(129.0,0.002);(131.0,0.02);(133.0,0.097);(134.0,0.012);(135.0,0.024);(136.0,0.006);(143.0,0.004);(150.0,0.005);(151.0,0.006);(152.0,0.002);(153.0,0.004);(155.0,0.002);(156.0,0.001);(157.0,0.005);(158.0,0.002);(161.0,0.005);(163.0,0.007);(164.0,0.006);(167.0,0.009);(168.0,0.004);(169.0,0.001);(172.0,0.001);(173.0,0.001);(177.0,0.011);(179.0,0.093);(180.0,0.016);(181.0,0.016);(182.0,0.004);(184.0,0.001);(188.0,0.002);(191.0,0.011);(192.0,0.005);(193.0,0.021);(194.0,0.004);(195.0,0.011);(196.0,0.002);(197.0,0.006);(202.0,0.001);(203.0,0.001);(205.0,0.004);(207.0,0.029);(208.0,0.011);(209.0,0.021);(210.0,0.009);(211.0,0.015);(212.0,0.005);(215.0,0.001);(221.0,0.005);(223.0,0.012);(224.0,0.002);(225.0,0.005);(228.0,0.001);(235.0,0.005);(236.0,0.001);(237.0,0.023);(238.0,0.006);(239.0,0.098);(240.0,0.021);(241.0,0.007);(242.0,0.002);(247.0,0.001);(249.0,0.002);(250.0,0.001);(251.0,0.016);(252.0,0.005);(253.0,0.02);(254.0,0.009);(255.0,0.006);(256.0,0.001);(258.0,0.001);(265.0,0.005);(266.0,0.002);(267.0,0.013);(268.0,0.005);(269.0,0.002);(270.0,0.001);(279.0,0.004);(281.0,1.0);(282.0,0.222);(283.0,0.105);(284.0,0.017);(285.0,0.004);(287.0,0.001);(293.0,0.001);(295.0,0.015);(296.0,0.005);(297.0,0.001);(299.0,0.001);(306.0,0.001);(309.0,0.001);(311.0,0.083);(312.0,0.018);(313.0,0.01);(325.0,0.001);(326.0,0.017);(327.0,0.007);(328.0,0.002);(333.0,0.001);(341.0,0.006);(342.0,0.002);(344.0,0.001);(351.0,0.001);(355.0,0.006);(356.0,0.001);(367.0,0.001);(369.0,0.047);(370.0,0.017);(371.0,0.005);(372.0,0.002);(383.0,0.001);(399.0,0.026);(400.0,0.009);(401.0,0.005);(402.0,0.001);(405.0,0.002);(406.0,0.001);(414.0,0.353);(415.0,0.119);(416.0,0.055);(417.0,0.012);(418.0,0.002);(425.0,0.001);(445.0,0.001);(451.0,0.001);(504.0,0.001);(513.0,0.001);(522.0,0.001);(550.0,0.001)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,0.6668557115);(26.01510062,0.4841426372);(27.02292522,3.180516793);(28.03074982,5.814088436);(29.03857442,8.13256072);(30.04639902,1.661966363);(31.05422362,0.8629207662);(45.03348852,0.8814814063);(46.04131312,0.4431905072);(124.0154921,3.191113734);(125.0233167,5.622600015);(126.0311413,2.747700987);(127.0389659,0.9947696192);(128.0467905,0.8480310777);(130.0624397,0.5809774105);(152.0104062,2.119842343);(153.0182308,43.48800908);(154.0216295,3.505444175);(154.0260554,3.206628818);(155.0231346,0.4772169573);(155.03388,1.124711802);(156.0417046,0.7740433878);(168.0053203,0.8020238141);(169.0131449,1.039016223);(170.0209695,2.184229713);(171.0287941,0.6651374895);(172.0366187,0.5225539739);(180.0417046,0.8177810653);(181.0495292,0.9257138874);(197.0444433,0.5720063239);(198.0522679,1.662724759)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,1.669351268);(28.03074982,3.051628568);(29.03857442,4.268520318);(73.04679982,5.336582856);(113.0417139,1.200165394);(115.0573631,1.713410454);(167.0522772,0.8414035857);(217.1074502,0.7898122669);(297.0972784,2.340900923);(317.1418881,0.7691037859);(327.1262389,2.362249814);(328.1278017,0.7412574628);(340.1340635,0.9388222778);(341.1234909,1.93735022);(341.1418881,3.295515038);(342.1313155,2.02700687);(342.1435169,1.071988083);(343.1391401,0.9334884781);(355.121153,2.29566976);(356.1227805,0.7469232983);(368.1289776,1.077252586);(369.1368022,4.496982524);(370.1384913,1.514834577);(370.1446268,1.512059646);(371.1160671,3.284611518);(371.1362092,0.7235000464);(372.1176976,1.069918604);(386.1395409,1.000788949);(399.1473655,5.572894848);(400.1491148,1.943405805);(401.1469695,0.9302965717)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(27.02292522,2.781914002);(28.03074982,5.085429534);(29.03857442,7.113335982);(30.04639902,1.453678065);(124.0154921,2.934613883);(125.0233167,5.119669518);(126.0311413,2.527914124);(127.0389659,1.248307435);(152.0104062,1.997199406);(153.0182308,38.17815546);(154.0216295,3.077432044);(154.0260554,2.98845312);(169.0131449,0.9068235953);(170.0209695,1.90937257);(180.0417046,0.8711291475);(181.0495292,0.8096974779);(198.0522679,1.425367919)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.1715064536);(29.03912516,0.8139267657);(43.01838972,0.0321940155);(45.03403978,0.0463955978);(47.04968984,0.7844720237);(73.0289544,0.0798724578);(75.04460446,0.0424291478);(95.01330434,0.1090248168);(97.0289544,0.0225450251);(111.008219,0.0278618614);(113.0602545,0.0309169217);(115.0395191,0.0468418949);(123.008219,0.7821629924);(125.023869,5.393569075);(127.0395191,0.6085605541);(129.0551691,0.0373687436);(137.023869,0.0429428434);(139.0395191,0.0926326716);(141.0187836,0.025253789);(141.0551691,0.0263474817);(153.0187836,20.84414168);(155.0344337,0.9548250316);(157.0500838,0.4660157397);(167.0344337,0.5967317706);(169.0136983,0.1388135227);(169.0500838,0.7828365647);(171.0293483,4.970961527);(173.0449984,0.2493329065);(181.0500838,2.559738964);(183.0293483,0.322190113);(199.0606485,58.89758705)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(29.03912516,1.346863718);(43.01838972,0.5516452884);(45.03403978,0.4923793143);(47.04968984,2.891772868);(56.99765427,0.7874166061);(59.01330434,0.3399551133);(61.0289544,0.8646452211);(67.01838972,0.2245305346);(95.01330434,0.655062707);(97.0289544,0.6316718975);(109.0289544,0.1126966637);(111.0446045,0.127870991);(115.0395191,0.1196314949);(123.008219,2.107346489);(125.023869,13.11104518);(127.0395191,1.392268268);(129.0551691,0.4646597667);(137.023869,0.3132237859);(139.0395191,0.5993684689);(141.0551691,0.4480670991);(143.0708192,0.5871086745);(153.0187836,37.49390719);(155.0344337,1.109255413);(157.0500838,0.2942261522);(167.0344337,0.6328212791);(169.0136983,0.2795835364);(169.0500838,1.980337844);(171.0293483,3.466643329);(181.0500838,4.390334422);(183.0293483,0.6875198391);(199.0606485,21.49614085)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(29.03912516,1.350999408);(41.03912516,0.8570181353);(43.01838972,0.5859090835);(45.03403978,0.3125379776);(47.04968984,0.6443941045);(67.01838972,8.278501716);(69.03403978,3.69514825);(73.0289544,0.4591022227);(80.99765427,2.56047588);(83.01330434,0.8975072353);(92.99765427,2.224095489);(95.01330434,5.606909433);(97.0289544,7.611106202);(109.0289544,2.02861936);(111.008219,1.982842522);(111.0446045,1.25810728);(113.0602545,0.4476350309);(115.0395191,0.297885908);(123.008219,17.83470092);(123.0446045,0.3668906461);(125.023869,13.634235);(127.0395191,1.732638591);(129.0551691,0.5908827395);(137.023869,1.184997063);(139.0395191,1.885817857);(143.0708192,0.3477021958);(153.0187836,17.9733984);(155.0344337,1.663389544);(157.0500838,0.7307634236);(181.0500838,0.5803976173);(183.0293483,0.3753907653)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.1311788517);(25.00782503,0.296449366);(27.0234751,2.555106491);(29.00273965,0.0830929936);(29.03912516,0.0682311586);(45.03403978,2.271882921);(71.01330434,0.2919844309);(73.0289544,0.1363465086);(80.99765427,0.0607172482);(107.0133043,0.1300431982);(109.0289544,0.184598912);(111.0446045,0.3818650088);(113.023869,0.0714105157);(120.9925689,0.0835354464);(123.008219,0.383698436);(125.023869,6.135547407);(127.0395191,0.1925598348);(137.023869,0.0794202971);(139.0395191,0.317500262);(141.0551691,0.0415672759);(151.0031336,10.24671555);(153.0187836,0.2772107322);(155.0344337,0.3229427364);(165.0187836,0.0664137139);(166.9980482,0.28646668);(167.0344337,0.5773707543);(169.0136983,5.687232523);(171.0293483,0.1720100653);(179.0344337,0.9544621304);(181.0136983,0.3566839989);(197.0449984,67.15575455)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.3336134268);(27.0234751,3.533636657);(29.03912516,0.317643034);(45.03403978,3.16226711);(71.01330434,1.154708897);(73.0289544,0.7205854062);(80.99765427,0.3445350854);(83.01330434,0.4731718152);(95.01330434,0.7131689988);(97.0289544,0.5005628546);(107.0133043,0.7743156951);(108.9925689,0.3557068124);(109.0289544,0.7040376343);(111.0446045,0.8652952157);(113.023869,0.3936010619);(120.9925689,0.4021063559);(123.008219,1.615629563);(125.023869,14.13212136);(127.0395191,1.65877805);(137.023869,0.8276616782);(139.0395191,1.199873461);(151.0031336,17.34451572);(153.0187836,1.162794211);(155.0344337,1.923197457);(165.0187836,0.7770034348);(166.9980482,1.029589546);(167.0344337,0.5705439004);(169.0136983,8.551523335);(179.0344337,2.27218515);(181.0136983,0.7692100222);(197.0449984,31.41641706)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(27.0234751,4.367533124);(29.00273965,1.484011252);(39.0234751,1.209004877);(44.99765427,2.174434507);(45.03403978,5.021674347);(53.00273965,1.153159208);(65.00273965,2.26004838);(67.01838972,2.17146452);(68.99765427,1.256629896);(71.01330434,1.848907569);(80.99765427,2.700028453);(83.01330434,1.382517923);(92.99765427,1.01614315);(95.01330434,2.869145075);(96.99256889,1.007906387);(97.0289544,0.7910993771);(107.0133043,2.681382254);(108.9925689,1.64067878);(109.0289544,1.774219711);(111.008219,3.333338502);(120.9925689,5.733967968);(123.008219,4.30924706);(125.023869,19.01907683);(127.0395191,1.290644496);(135.008219,1.069525452);(136.9874835,0.8696100281);(151.0031336,12.16649028);(153.0187836,2.853008973);(155.0344337,1.10775833);(166.9980482,1.932655385);(169.0136983,7.504687899)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(109.02841,11.7);(109.02841,11.7);(109.02841,11.7);(125.02332,8.8);(125.02332,8.8);(125.02332,8.8);(125.02332,8.8);(125.02332,8.8);(125.02332,8.8);(127.03897,12.19);(127.03897,12.19);(127.03897,12.19);(127.03897,12.19);(127.03897,12.19);(127.03897,12.19);(127.03897,12.19);(135.00767,9.04);(153.01824,37.0);(153.01824,37.0);(153.01824,37.0);(153.01824,37.0);(153.01824,37.0);(153.01824,37.0);(181.04954,9.49);(181.04954,9.49);(181.04954,9.49);(181.04954,9.49);(181.04954,9.49);(181.04954,9.49);(199.0601,100.0);(199.0601,100.0);(199.0601,100.0);(199.0601,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(44.99711,13.34);(97.02841,8.92);(97.02841,8.92);(97.02841,8.92);(97.02841,8.92);(97.02841,8.92);(109.02841,18.77);(109.02841,18.77);(109.02841,18.77);(111.04406,17.82);(111.04406,17.82);(111.04406,17.82);(111.04406,17.82);(113.05971,11.51);(113.05971,11.51);(125.02332,17.98);(125.02332,17.98);(125.02332,17.98);(125.02332,17.98);(125.02332,17.98);(125.02332,17.98);(127.03897,12.74);(127.03897,12.74);(127.03897,12.74);(127.03897,12.74);(127.03897,12.74);(127.03897,12.74);(127.03897,12.74);(129.05462,7.86);(129.05462,7.86);(129.05462,7.86);(129.05462,7.86);(129.05462,7.86);(135.00767,29.5);(137.02332,9.49);(137.02332,9.49);(137.02332,9.49);(137.02332,9.49);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(171.0288,19.68);(171.0288,19.68);(171.0288,19.68);(171.0288,19.68);(181.04954,8.67);(181.04954,8.67);(181.04954,8.67);(181.04954,8.67);(181.04954,8.67);(181.04954,8.67);(199.0601,55.39);(199.0601,55.39);(199.0601,55.39);(199.0601,55.39)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,27.53);(41.03858,16.56);(44.99711,10.95);(45.03349,11.61);(53.00219,12.23);(55.01784,20.67);(55.01784,20.67);(67.01784,17.33);(69.03349,44.7);(69.03349,44.7);(80.99711,11.54);(95.01276,22.33);(95.01276,22.33);(95.01276,22.33);(97.02841,23.16);(97.02841,23.16);(97.02841,23.16);(97.02841,23.16);(97.02841,23.16);(99.04406,13.07);(99.04406,13.07);(99.04406,13.07);(99.04406,13.07);(107.01276,16.01);(107.01276,16.01);(109.02841,10.26);(109.02841,10.26);(109.02841,10.26);(111.04406,9.38);(111.04406,9.38);(111.04406,9.38);(111.04406,9.38);(113.05971,11.48);(113.05971,11.48);(125.02332,50.05);(125.02332,50.05);(125.02332,50.05);(125.02332,50.05);(125.02332,50.05);(125.02332,50.05);(151.00258,16.03);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(155.03389,9.76);(155.03389,9.76);(155.03389,9.76);(155.03389,9.76);(155.03389,9.76);(155.03389,9.76)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(125.02442,13.46);(169.01425,45.58);(169.01425,45.58);(169.01425,45.58);(169.01425,45.58);(197.04555,100.0);(197.04555,100.0);(197.04555,100.0);(197.04555,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(123.00877,21.43);(123.00877,21.43);(123.00877,21.43);(123.00877,21.43);(123.00877,21.43);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(125.02442,80.55);(135.00877,41.16);(135.00877,41.16);(135.00877,41.16);(137.02442,29.47);(137.02442,29.47);(137.02442,29.47);(137.02442,29.47);(151.00368,85.34);(151.00368,85.34);(151.00368,85.34);(151.00368,85.34);(151.00368,85.34);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(153.01933,100.0);(155.03498,23.45);(155.03498,23.45);(155.03498,23.45);(155.03498,23.45);(166.9986,29.57);(169.01425,26.85);(169.01425,26.85);(169.01425,26.85);(169.01425,26.85);(179.03498,16.34);(179.03498,16.34);(179.03498,16.34);(179.03498,16.34);(179.03498,16.34);(197.04555,93.84);(197.04555,93.84);(197.04555,93.84);(197.04555,93.84)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,47.37);(43.01894,51.14);(44.9982,25.99);(45.03459,63.26);(53.00329,21.34);(65.00329,28.55);(65.00329,28.55);(67.01894,35.52);(68.9982,31.65);(68.9982,31.65);(80.9982,31.69);(80.9982,31.69);(83.01385,15.19);(83.01385,15.19);(83.01385,15.19);(83.01385,15.19);(97.0295,25.43);(97.0295,25.43);(97.0295,25.43);(97.0295,25.43);(99.00877,16.1);(99.00877,16.1);(107.01385,23.4);(109.0295,14.79);(109.0295,14.79);(109.0295,14.79);(123.00877,59.93);(123.00877,59.93);(123.00877,59.93);(123.00877,59.93);(123.00877,59.93);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(127.04007,18.2);(127.04007,18.2);(127.04007,18.2);(127.04007,18.2);(137.02442,16.59);(137.02442,16.59);(137.02442,16.59);(137.02442,16.59);(166.9986,43.47);(169.01425,17.28);(169.01425,17.28);(169.01425,17.28);(169.01425,17.28)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Gallic acid ethyl ester