PhytoHub: Showing entry for 4-Caffeoylquinic-1,5-lactone

4-Caffeoylquinic-1,5-lactone

Identification

PhytoHub ID

PHUB002471

Name

4-Caffeoylquinic-1,5-lactone

Systematic Name

4-Caffeoylquinic-1,5-lactone

Synonyms

4-Caffeoyl-1,5-quinolactone

CAS Number

Not Available

Average Mass

336.296

Monoisotopic Mass

336.084517475

Chemical Formula

C₁₆H₁₆O₈

IUPAC Name

(1S,3R,4R,5R)-1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChI Key

BMSNCTFPYHTXGU-JUHZACGLSA-N

InChI Identifier

InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(20)24-14-11(19)6-16(22)7-12(14)23-15(16)21/h1-5,11-12,14,17-19,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1

SMILES

O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.71e+00 g/l
LogS (ALOGPS): -2.09
LogP (ALOGPS): 0.20
Hydrogen Acceptors: 6
Hydrogen Donors: 4
Rotatable Bond Count: 4
Polar Surface Area: 133.52
Refractivity: 79.74250000000002
Polarizability: 31.89933121543706
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.2468774105273144
pKa (strongest acidic): 9.208140363085006
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

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
Coffee Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(26.01510062,0.975068003);(27.02292522,0.9461143124);(43.01783932,5.382535932);(55.01783932,1.83694956);(56.02566392,0.9954332718);(68.02566392,0.7804024374);(70.04131312,1.00586913);(71.01275342,1.594046605);(99.04405182,1.30799685);(112.0518764,0.8192125551);(113.0233167,3.086798202);(113.059701,1.485102335);(133.0284026,2.097151319);(134.0362272,1.049694538);(135.0440518,4.827380181);(144.0417046,0.977786052);(163.0389659,1.886648762);(180.0417046,0.8683129912);(221.0444433,0.9468754764);(234.0522679,0.7237238078);(289.0706558,0.7080033116);(290.0784804,1.198959871);(291.0499207,0.7575397197);(291.086305,2.808040938);(292.0941296,0.9967960862);(305.0655699,0.7217388282);(306.0733945,0.9610770668);(307.0812191,1.855511135);(308.0890437,3.117657501);(318.0733945,1.496410671);(319.0812191,1.81155139)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,2.869937109);(75.02606472,1.996755163);(89.04171392,1.524432613);(113.0417139,0.7412801719);(115.0573631,2.983591662);(186.0706651,1.029954848);(235.0784897,1.865319499);(257.1387486,0.7765769678);(278.1152748,0.8044437167);(279.1230994,1.347368642);(287.1129276,0.8896854235);(300.1207522,1.078285877);(307.1180135,3.65979552);(308.1200082,1.00187834);(451.1786639,0.8357079611);(535.1997905,1.042158148);(551.1947046,1.45590685);(552.2025292,1.626093654);(553.2103538,0.7496907055);(565.228751,6.527488031);(566.2306232,3.280581033);(567.2291039,1.737796777);(579.2444002,0.7377064942);(580.2522248,2.943941223);(581.2541332,1.513843425);(582.2526852,0.8010011456);(596.2471389,1.66015281);(597.249049,0.854311797);(609.2185792,3.594342067);(610.2204871,1.849372116);(611.2190969,0.9931905195)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(26.01510062,0.975068003);(27.02292522,0.9461143124);(43.01783932,5.382535932);(55.01783932,1.83694956);(56.02566392,0.9954332718);(68.02566392,0.7804024374);(70.04131312,1.00586913);(71.01275342,1.594046605);(99.04405182,1.30799685);(112.0518764,0.8192125551);(113.0233167,3.086798202);(113.059701,1.485102335);(133.0284026,2.097151319);(134.0362272,1.049694538);(135.0440518,4.827380181);(144.0417046,0.977786052);(163.0389659,1.886648762);(180.0417046,0.8683129912);(221.0444433,0.9468754764);(234.0522679,0.7237238078);(289.0706558,0.7080033116);(290.0784804,1.198959871);(291.0499207,0.7575397197);(291.086305,2.808040938);(292.0941296,0.9967960862);(305.0655699,0.7217388282);(306.0733945,0.9610770668);(307.0812191,1.855511135);(308.0890437,3.117657501);(318.0733945,1.496410671);(319.0812191,1.81155139)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(109.0289544,1.13068506);(111.0446045,1.187864515);(113.0602545,0.822219739);(123.0446045,2.142102187);(125.0602545,1.968829452);(127.0395191,0.8027548418);(135.0446045,0.9116376963);(139.0395191,3.229946447);(141.0551691,0.6908490297);(143.0344337,0.4067432183);(145.0500838,0.7717949859);(155.0344337,0.9470869276);(157.0500838,8.909541106);(159.0657338,0.6408373677);(161.023869,1.963599947);(163.0395191,15.75597144);(169.0136983,0.5950320706);(175.0606485,7.114662277);(181.0500838,0.8916991172);(213.039913,0.6188579023);(215.0555631,1.315384275);(227.0555631,0.7993092499);(273.0762985,0.4953334635);(289.0712131,0.9349559766);(291.0868632,2.078871132);(293.1025133,1.967740891);(301.0712131,0.8486060001);(307.0817778,0.4449621076);(319.0817778,11.1280863);(319.0817778,0.5804236664);(337.0923425,27.90361161)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.8389068962);(55.01838972,1.063261013);(105.0340398,0.8570345986);(109.0289544,2.196362708);(111.0446045,0.7150522467);(113.0602545,0.7437676481);(123.0446045,5.359789273);(125.0602545,0.7759499945);(127.0395191,1.039430471);(129.0551691,0.8682279882);(131.0708192,1.932246682);(133.0289544,2.28780396);(135.0446045,5.286849228);(139.0395191,2.603049713);(147.0446045,0.6565934098);(155.0344337,0.849652632);(157.0500838,14.38951127);(159.0657338,0.9820034378);(161.023869,1.823731169);(163.0395191,22.46745317);(175.0606485,12.04193201);(213.039913,1.279222628);(227.0555631,1.234249125);(271.0606485,0.5963118499);(289.0712131,0.6554173034);(293.1025133,1.046376457);(301.0712131,1.355345289);(307.0817778,2.226870866);(307.0817778,0.904420644);(319.0817778,5.52656397);(337.0923425,5.39661234)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,6.654395219);(45.03403978,4.384509284);(51.0234751,1.39758491);(55.01838972,2.913293528);(77.03912516,1.372083746);(79.01838972,1.881652252);(97.0289544,1.312977255);(99.00821896,2.298313594);(101.023869,1.996498633);(101.0602545,1.550690126);(105.0340398,4.392819946);(107.0496898,1.689593976);(109.0289544,4.495307301);(111.0446045,3.623971767);(113.0602545,5.101912913);(115.0395191,1.938248571);(123.0446045,3.44381005);(127.0395191,5.403770001);(129.0551691,2.52486978);(131.0708192,2.130587053);(133.0289544,2.370697592);(135.0446045,2.388423149);(139.0395191,5.652846838);(141.0551691,2.660712776);(145.0500838,1.462969911);(155.0344337,1.778689084);(157.0500838,12.59949023);(163.0395191,5.631903485);(169.0136983,1.642720218);(175.0606485,1.554117718);(319.0817778,1.750539091)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(99.00821896,0.1842082687);(111.0446045,0.1910988612);(113.023869,1.196594802);(115.0395191,0.2946704715);(121.0289544,0.4257493668);(123.0446045,0.5353356809);(127.0395191,1.719371315);(129.0551691,1.107240134);(133.0289544,0.262474664);(135.0446045,1.59899753);(137.023869,0.4105057366);(141.0187836,0.2291903503);(143.0344337,0.5862716912);(153.0187836,0.2653434371);(155.0344337,5.262618927);(159.008219,0.2902996384);(161.023869,7.320317973);(171.0293483,0.2062815736);(173.0449984,13.35542116);(177.0187836,0.2895231057);(179.0344337,6.880627735);(211.0242629,0.3180567581);(213.039913,0.6659269339);(235.0606485,0.3058909649);(273.0762985,0.3532738236);(289.0712131,0.2767146561);(291.0868632,6.050359805);(303.0504777,1.015214743);(305.0661278,2.936413429);(317.0661278,3.966456924);(335.0766924,41.49954954)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(43.01838972,1.056721646);(57.03403978,0.7050503093);(73.0289544,1.484314009);(99.00821896,0.5121782961);(113.023869,2.055353832);(121.0289544,6.620181072);(123.0446045,2.437915692);(129.0551691,2.879866491);(133.0289544,0.8288232318);(135.0446045,4.075727165);(137.023869,1.01939467);(137.0602545,0.6913155898);(139.0395191,1.780213217);(143.0344337,1.585839592);(155.0344337,11.67783402);(157.0500838,1.745087118);(161.023869,9.900826128);(173.0449984,13.51663264);(177.0187836,0.5863141699);(179.0344337,12.98202504);(199.0242629,0.7286720607);(201.039913,0.6170914654);(211.0242629,1.398866593);(213.039913,3.03873318);(291.0868632,1.906908951);(293.0661278,0.5722303183);(305.0661278,0.7287028628);(317.0661278,3.66513384);(317.0661278,1.067466147);(319.0453923,0.5352662396);(335.0766924,7.59931441)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.267767917);(43.01838972,7.399418197);(44.99765427,1.700029271);(45.03403978,1.710663497);(71.01330434,1.113724672);(73.0289544,1.929166282);(96.99256889,2.022143333);(99.00821896,1.426070758);(101.023869,0.9809381045);(109.0289544,1.336593017);(113.023869,2.969327288);(119.0133043,1.020570911);(121.0289544,1.239966999);(125.023869,0.9634950108);(127.0395191,2.170417096);(129.0551691,9.188426052);(131.0133043,1.860846024);(133.0289544,3.279211199);(135.0446045,6.008610176);(141.0187836,3.600075667);(143.0133043,0.8731270446);(143.0344337,1.149022814);(149.023869,1.397372803);(155.0344337,4.741620011);(159.008219,1.22759961);(161.023869,19.77002548);(163.0395191,1.081681057);(171.0293483,0.9324325328);(173.0449984,3.886862664);(175.0031336,1.217160447);(179.0344337,8.535634068)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(97.0295,4.32);(99.00877,5.77);(99.00877,5.77);(99.00877,5.77);(99.00877,5.77);(99.00877,5.77);(113.02442,4.72);(113.02442,4.72);(115.04007,8.86);(115.04007,8.86);(115.04007,8.86);(115.04007,8.86);(121.0295,4.81);(121.0295,4.81);(121.0295,4.81);(121.0295,4.81);(123.04515,11.44);(123.04515,11.44);(123.04515,11.44);(133.0295,14.12);(133.0295,14.12);(133.0295,14.12);(133.0295,14.12);(133.0295,14.12);(135.04515,81.47);(135.04515,81.47);(135.04515,81.47);(135.04515,81.47);(135.04515,81.47);(135.04515,81.47);(135.04515,81.47);(143.03498,7.73);(143.03498,7.73);(145.05063,15.05);(145.05063,15.05);(155.03498,11.4);(155.03498,11.4);(155.03498,11.4);(155.03498,11.4);(157.05063,4.15);(157.05063,4.15);(157.05063,4.15);(161.02442,12.43);(163.04007,4.58);(163.04007,4.58);(163.04007,4.58);(163.04007,4.58);(163.04007,4.58);(163.04007,4.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(173.04555,39.58);(179.03498,8.43);(193.05063,11.15);(219.0299,9.15);(221.04555,9.89);(291.08741,5.24);(303.05103,7.92);(303.05103,7.92);(303.05103,7.92);(303.05103,7.92);(305.06668,12.5);(305.06668,12.5);(305.06668,12.5);(305.06668,12.5);(305.06668,12.5);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(307.08233,38.83);(317.06668,15.27);(317.06668,15.27);(317.06668,15.27);(317.06668,15.27);(317.06668,15.27);(317.06668,15.27);(317.06668,15.27);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0);(335.07724,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,27.12);(43.01894,10.23);(55.01894,7.66);(67.01894,7.18);(91.01894,37.74);(91.01894,37.74);(93.03459,32.33);(93.03459,32.33);(96.99312,6.57);(99.00877,7.18);(99.00877,7.18);(99.00877,7.18);(99.00877,7.18);(99.00877,7.18);(103.01894,15.49);(103.01894,15.49);(105.03459,34.04);(105.03459,34.04);(107.01385,20.19);(107.01385,20.19);(107.05024,25.62);(107.05024,25.62);(109.0295,8.42);(109.0295,8.42);(109.0295,8.42);(117.03459,20.14);(117.03459,20.14);(121.0295,17.14);(121.0295,17.14);(121.0295,17.14);(121.0295,17.14);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(133.0295,100.0);(135.04515,57.53);(135.04515,57.53);(135.04515,57.53);(135.04515,57.53);(135.04515,57.53);(135.04515,57.53);(135.04515,57.53);(143.03498,13.01);(143.03498,13.01);(145.05063,15.89);(145.05063,15.89);(155.03498,8.93);(155.03498,8.93);(155.03498,8.93);(155.03498,8.93);(163.04007,10.4);(163.04007,10.4);(163.04007,10.4);(163.04007,10.4);(163.04007,10.4);(163.04007,10.4);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(173.04555,18.99);(183.0299,6.24);(191.03498,6.36);(211.02481,7.98);(211.02481,7.98);(211.02481,7.98);(211.02481,7.98);(213.04046,8.84);(213.04046,8.84);(213.04046,8.84);(213.04046,8.84);(213.04046,8.84);(291.05103,9.96);(291.05103,9.96);(291.05103,9.96);(293.06668,19.43);(293.06668,19.43);(293.06668,19.43);(293.06668,19.43);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(307.08233,9.59);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73);(333.06159,20.73)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(135.04406,4.06);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(163.03897,20.7);(309.09688,13.09);(309.09688,13.09);(309.09688,13.09);(309.09688,13.09);(309.09688,13.09);(309.09688,13.09);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(319.08123,27.96);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0);(337.09179,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(43.01784,8.84);(107.04914,17.24);(107.04914,17.24);(107.04914,17.24);(113.05971,8.18);(113.05971,8.18);(117.03349,8.59);(117.03349,8.59);(123.04406,9.26);(123.04406,9.26);(123.04406,9.26);(123.04406,9.26);(123.04406,9.26);(133.02841,13.09);(133.02841,13.09);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(135.04406,45.67);(145.02841,57.96);(145.02841,57.96);(145.02841,57.96);(147.04406,12.74);(147.04406,12.74);(147.04406,12.74);(149.05971,14.48);(149.05971,14.48);(149.05971,14.48);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(157.04954,31.82);(161.02332,22.86);(161.02332,22.86);(161.02332,22.86);(161.02332,22.86);(161.02332,22.86);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(163.03897,100.0);(181.04954,13.09);(181.04954,13.09);(181.04954,13.09);(181.04954,13.09);(181.04954,13.09);(181.04954,13.09);(181.04954,13.09);(193.04954,19.37);(193.04954,19.37);(193.04954,19.37);(193.04954,19.37);(193.04954,19.37);(205.04954,7.92);(205.04954,7.92);(205.04954,7.92);(221.04445,16.79);(221.04445,16.79);(223.0601,28.63);(223.0601,28.63);(229.07066,9.08);(229.07066,9.08);(229.07066,9.08);(277.07066,10.32);(279.08631,16.59);(281.10196,10.85);(291.04993,8.93);(291.04993,8.93);(291.08631,35.25);(291.08631,35.25);(291.08631,35.25);(293.06558,10.45);(293.06558,10.45);(293.06558,10.45);(295.08123,11.83);(295.08123,11.83);(295.08123,11.83);(307.08123,12.94);(307.08123,12.94);(307.08123,12.94);(307.08123,12.94);(307.08123,12.94);(309.09688,12.44);(309.09688,12.44);(309.09688,12.44);(309.09688,12.44);(309.09688,12.44);(309.09688,12.44);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(319.08123,53.92);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45);(337.09179,93.45)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(45.03349,15.53);(65.03858,27.36);(65.03858,27.36);(75.02293,11.31);(77.03858,23.6);(79.05423,29.84);(91.01784,14.36);(93.03349,51.66);(93.03349,51.66);(93.03349,51.66);(95.04914,16.71);(97.02841,9.97);(97.02841,9.97);(105.03349,10.31);(105.03349,10.31);(107.04914,27.99);(107.04914,27.99);(107.04914,27.99);(111.04406,12.45);(111.04406,12.45);(111.04406,12.45);(117.03349,59.31);(117.03349,59.31);(119.04914,20.18);(119.04914,20.18);(121.02841,9.88);(121.02841,9.88);(121.02841,9.88);(123.04406,43.15);(123.04406,43.15);(123.04406,43.15);(123.04406,43.15);(123.04406,43.15);(125.05971,18.25);(125.05971,18.25);(125.05971,18.25);(131.01276,28.06);(133.02841,28.09);(133.02841,28.09);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(145.02841,46.15);(145.02841,46.15);(145.02841,46.15);(147.04406,42.33);(147.04406,42.33);(147.04406,42.33);(149.05971,19.76);(149.05971,19.76);(149.05971,19.76);(159.00767,26.7);(161.02332,43.42);(161.02332,43.42);(161.02332,43.42);(161.02332,43.42);(161.02332,43.42);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(163.03897,74.4);(193.04954,19.77);(193.04954,19.77);(193.04954,19.77);(193.04954,19.77);(193.04954,19.77);(221.08084,10.5);(221.08084,10.5);(293.06558,12.71);(293.06558,12.71);(293.06558,12.71);(295.08123,11.92);(295.08123,11.92);(295.08123,11.92)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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
	Coffee Chlorogenic acids		4-Caffeoylquinic-1,5-lactone	human	plasma	host metabolism	1h-3h	<20 nmol/L	Not Available	C₁₆H₁₆O₈	336.084517475	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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