PhytoHub: Showing entry for Dihydro-resveratrol

Dihydro-resveratrol

Identification

PhytoHub ID

PHUB001323

Name

Dihydro-resveratrol

Systematic Name

Dihydroresveratrol

Synonyms

3,4',5-trihydroxybibenzyl
5-(4-hydroxyphenethyl)benzene-1,3-diol
dihydro-3,4',5-trihydroxystilbene

CAS Number

58436-28-5

Average Mass

230.263

Monoisotopic Mass

230.094294311

Chemical Formula

C₁₄H₁₄O₃

IUPAC Name

5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol

InChI Key

HITJFUSPLYBJPE-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2

SMILES

OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.12e-02 g/l
LogS (ALOGPS): -3.45
LogP (ALOGPS): 2.45
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 3
Polar Surface Area: 60.69
Refractivity: 66.33890000000001
Polarizability: 24.844332473856483
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -5.442613297531203
pKa (strongest acidic): 9.30352527101386
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 4582
PubChem: 185914
KNApSAcK: C00002879
MetaboLights: MTBLC4582
Phenol-Explorer: 1008
FooDB (Compounds): FDB029989
PeakForestCompound: 000813

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Stilbene metabolites
Metabolite Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Piceid (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Resveratrol (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Stilbenes
Super-class: Phenylpropanoids and polyketides
Sub-class: Not Available
Direct Parent Name: Stilbenes
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols"]
External Descriptor Annotations: ["Bibenzyls", "Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "stilbenol"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,1.071477157);(41.00219012,1.419709857);(51.02292522,1.015698123);(53.03857442,0.9488150485);(55.05422362,1.374540328);(75.02292522,2.068045793);(77.00219012,1.447675041);(77.03857442,3.939949861);(79.01783932,1.484327445);(79.05422362,3.369891759);(81.03348852,2.183562677);(94.04131312,1.911194939);(105.0334885,8.752374074);(106.0413131,2.263754242);(107.0491377,14.39682697);(108.0525356,1.148614526);(110.0362272,1.910524557);(122.0362272,2.262968423);(123.0440518,21.62255102);(124.0474536,1.733207063);(124.0518764,2.017916885);(125.059701,2.424827241);(173.059701,1.655475621);(199.0753502,1.062594321);(200.0831748,0.9331342411);(201.0909994,2.305895526);(202.098824,1.020834174);(212.0831748,1.128379974);(229.0859135,4.817572316);(230.0937381,5.437920559);(231.097138,0.8697402463)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(39.02292522,0.9857757558);(41.00219012,0.6510693024);(49.00727602,0.7749281868);(51.02292522,0.9713518234);(53.03857442,0.9095780638);(55.05422362,0.919290646);(75.02292522,1.976475735);(77.00219012,1.384068817);(77.03857442,3.764996456);(79.01783932,1.763418638);(79.05422362,3.237153352);(81.03348852,1.755616121);(94.04131312,1.434575922);(105.0334885,8.459951837);(106.0368756,0.672417552);(106.0413131,2.257298213);(107.0491377,13.86574412);(108.0525356,1.106243421);(110.0362272,1.464039679);(122.0362272,1.463229523);(123.0440518,12.49991194);(124.0474536,1.001960206);(124.0518764,0.9949572304);(125.059701,1.483927845);(173.059701,1.365606567);(199.0753502,0.6880163971);(201.0909994,1.616804733);(202.098824,0.6758449196);(212.0831748,0.8469814918);(230.0937381,4.091014579);(231.097138,0.6543162941)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(56.0172,0.4132231405);(77.039,0.4722550177);(91.0543,2.066115702);(91.0614,0.4427390791);(93.031,0.2951593861);(93.0705,0.8559622196);(103.0595,0.5903187721);(107.0497,14.52184179);(108.0489,1.239669421);(109.0646,0.6198347107);(110.0666,0.5608028335);(110.9483,0.3837072019);(121.0652,14.46280992);(122.0656,1.121605667);(122.0749,0.974025974);(125.0605,1.534828808);(137.0597,29.51593861);(138.0592,1.387249115);(138.0706,1.003541913);(231.0217,0.3246753247);(231.1036,27.2136954)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(65.0397,0.4100041);(65.0441,0.45100451);(68.9913,0.45100451);(69.0,0.9840098401);(77.0367,3.73103731);(79.0535,1.68101681);(82.0746,0.45100451);(91.047,1.2300123);(91.0555,10.53710537);(93.0628,0.8200082001);(93.067,2.0500205);(93.0755,1.72201722);(94.0407,1.59901599);(95.0491,0.8610086101);(103.0502,1.06601066);(103.0566,2.17302173);(107.0204,0.5330053301);(107.049,41.00041);(108.0529,3.48503485);(109.0577,1.55801558);(109.0651,3.85403854);(110.0351,0.6970069701);(110.0604,0.49200492);(110.0687,1.14801148);(119.0445,0.8200082001);(119.0535,0.45100451);(121.0666,6.519065191);(122.0668,0.6150061501);(123.0429,0.4100041);(125.0584,1.55801558);(137.0599,5.453054531);(138.0609,0.7380073801);(165.0688,0.45100451)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(88.0371,13.3478025);(107.0482,54.25935974);(108.0576,8.084644601);(115.0615,7.704829083);(118.0688,8.518719479);(231.1141,8.084644601)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(56.0172,0.4201556351);(77.039,0.4674971151);(91.0543,2.071189751);(91.0614,0.4556617451);(93.0705,0.8639820102);(103.0595,0.5858508152);(107.0497,14.56046395);(108.0489,1.251590378);(109.0646,0.6302334527);(110.0666,0.5503447052);(110.9483,0.3728141551);(121.0652,14.5012871);(122.0656,1.133236678);(122.0749,0.9705003403);(125.0605,1.544515785);(137.0597,29.58842501);(138.0592,1.402491345);(138.0706,1.01784182);(231.0217,0.3284315176);(231.1036,27.2834867)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(81.0314,4.396782842);(82.0428,1.018766756);(106.0385,1.018766756);(122.0386,2.788203753);(123.0443,53.61930295);(124.045,2.73458445);(124.0523,1.072386059);(229.0867,33.35120643)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(123.0409,59.2);(137.0226,26.3);(175.0663,34.2);(229.0796,100.0);(229.0904,55.3);(230.0924,26.3)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(64.9999,1.405152225);(79.0588,1.8735363);(81.0324,58.54800937);(83.0206,1.405152225);(106.0403,1.697892272);(119.0422,1.580796253);(120.0553,1.405152225);(122.0328,3.571428571);(123.0395,14.81264637);(123.0481,11.41686183);(124.0506,2.283372365)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(81.0302,37.7);(123.0418,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(81.0369,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(78.0484,27.6330076);(81.03,54.2888165);(121.0272,18.0781759)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(123.0409,45.0);(137.0226,20.0);(175.0663,26.0);(229.0796,76.0);(229.0904,42.0);(230.0924,20.0)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(81.0314,4.398197812);(82.0428,1.035185582);(106.0385,1.008367303);(122.0386,2.783737395);(123.0443,53.63655868);(124.045,2.740828148);(124.0523,1.056640206);(229.0867,33.34048487)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(56.01724,1.42);(77.03904,1.58);(91.05433,7.0);(93.07054,2.92);(103.0595,1.98);(107.04967,49.21);(108.0489,4.23);(109.06463,2.13);(110.06662,1.86);(110.94829,1.26);(121.06516,49.01);(122.06564,3.83);(125.06052,5.22);(137.05966,100.0);(138.05916,4.74);(231.10356,92.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04359,1.4);(107.04903,4.9);(121.06392,11.5);(122.06926,1.4);(137.05882,23.6);(138.06137,2.1);(231.10124,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03673,1.4);(66.04515,1.1);(68.99619,4.9);(77.03917,8.2);(78.04176,1.3);(79.05491,2.9);(81.07057,3.1);(89.38793,1.2);(91.05429,27.7);(92.05191,1.2);(93.06799,12.8);(94.03976,2.0);(95.05032,3.1);(103.0554,18.7);(107.04916,100.0);(108.05239,4.8);(109.06258,11.2);(110.03881,1.8);(119.04739,7.0);(121.06287,19.0);(137.0592,14.2);(138.06783,2.0);(144.06195,1.4);(147.03815,1.2);(195.06783,1.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(81.03201,58.8);(81.03653,67.6);(122.03356,52.9);(123.04605,52.9);(185.12224,100.0);(229.08305,73.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.061,1.1);(69.03693,1.2);(77.03885,10.9);(78.04482,1.1);(79.0539,3.8);(80.05728,1.3);(81.06998,6.4);(91.0542,28.8);(92.0665,1.6);(93.0699,7.3);(94.07255,1.2);(103.05572,16.8);(104.1473,1.3);(107.04881,100.0);(108.05147,4.3);(109.06703,6.8);(110.04308,1.2);(119.04802,1.9);(121.06383,21.4);(122.06036,1.3);(122.9996,1.6);(125.0625,2.0);(137.05923,13.1);(138.06828,2.3);(167.09163,1.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03745,1.1);(68.99855,1.8);(77.03927,1.9);(79.05303,1.8);(81.07084,1.3);(91.05411,4.1);(93.06696,2.6);(103.04671,2.6);(104.0593,1.2);(107.04872,59.9);(109.06144,2.7);(121.06382,34.2);(122.07046,2.7);(125.05799,9.4);(137.05934,97.9);(138.06583,11.6);(169.08485,1.2);(176.42635,1.1);(189.0938,1.5);(213.08572,1.5);(231.10278,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(88.0371,24.6);(107.0482,100.0);(108.05759,14.9);(115.06146,14.2);(118.06883,15.7);(231.11409,14.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04641,4.0);(121.06621,8.3);(125.05812,1.5);(137.05977,27.1);(138.05992,1.4);(231.10162,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(81.03139,8.2);(82.04278,1.9);(106.03854,1.9);(122.03857,5.2);(123.04428,100.0);(124.04499,5.1);(229.08675,62.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.02818,14.8);(77.03979,100.0);(91.04913,46.5);(103.05209,12.0);(107.04656,27.5);(108.0509,30.3);(110.01326,19.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04916,4.5);(121.06413,9.0);(125.05987,1.6);(137.06017,20.8);(138.06294,2.0);(231.10228,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(123.04391,32.2);(124.04429,2.6);(229.08572,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(81.03419,8.3);(106.03818,1.6);(122.03833,1.6);(123.04355,100.0);(124.04541,8.2);(162.80913,1.1);(229.08607,73.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.04412,1.1);(68.99999,2.4);(77.03667,9.1);(79.05349,4.1);(82.07457,1.1);(91.0555,25.7);(93.06695,5.0);(94.04068,3.9);(95.04913,2.1);(103.05658,5.3);(107.04905,100.0);(108.05288,8.5);(109.0651,9.4);(110.06865,2.8);(119.04453,2.0);(121.06655,15.9);(122.0668,1.5);(125.05835,3.8);(137.05986,13.3);(138.0609,1.8);(165.06883,1.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(56.01724,1.4);(77.03904,1.6);(91.05433,7.0);(93.07054,2.9);(103.0595,2.0);(107.04967,49.2);(108.0489,4.2);(109.06463,2.1);(110.06662,1.9);(110.94829,1.3);(121.06516,49.0);(122.06564,3.8);(125.06052,5.2);(137.05966,100.0);(138.05916,4.7);(231.10356,92.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(64.99987,2.4);(79.05881,3.2);(81.03239,100.0);(83.02062,2.4);(106.04025,2.9);(119.0422,2.7);(120.05525,2.4);(122.0328,6.1);(123.03947,25.3);(124.05057,3.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03968,1.0);(65.04412,1.1);(68.99999,2.4);(77.03667,9.11);(79.05349,4.1);(82.07457,1.1);(91.0555,25.73);(93.06695,5.01);(94.04068,3.9);(95.04913,2.1);(103.05658,5.31);(107.04905,100.0);(108.05288,8.51);(109.0651,9.41);(110.06865,2.8);(119.04453,2.0);(121.06655,15.92);(122.0668,1.5);(123.04288,1.0);(125.05835,3.8);(137.05986,13.31);(138.0609,1.8);(165.06883,1.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03745,1.1);(68.99855,1.8);(77.03927,1.9);(79.05303,1.8);(81.07084,1.3);(91.05411,4.1);(93.06696,2.6);(103.04671,2.6);(104.0593,1.2);(107.04872,59.86);(108.05347,1.0);(109.06144,2.7);(115.04881,1.0);(119.04904,1.0);(121.06382,34.23);(122.07046,2.7);(125.05799,9.41);(127.06863,1.0);(137.05934,97.9);(138.06583,11.61);(161.06442,1.0);(169.08485,1.2);(176.42635,1.1);(189.0938,1.5);(213.08572,1.5);(231.10278,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03834,2.7);(81.03329,1.0);(91.05227,3.9);(93.06697,2.2);(94.07079,1.4);(103.04806,1.4);(104.05949,1.3);(107.04926,44.54);(108.05102,5.21);(109.06162,6.11);(110.06737,2.0);(111.04629,1.2);(118.07216,1.2);(119.04855,1.3);(121.06508,42.24);(125.0621,3.3);(137.05908,100.0);(138.05997,4.4);(231.10138,78.78)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(81.03425,13.81);(82.0388,1.0);(106.04368,1.9);(121.0311,2.0);(122.03143,1.0);(123.04333,100.0);(124.0461,8.71);(229.08728,69.27)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(123.04385,30.5);(124.04688,1.4);(229.08594,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(81.03271,100.0);(82.03769,5.0);(83.03799,5.6);(122.03348,22.3);(123.04408,35.9);(173.05405,2.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.02802,1.0);(65.03673,1.4);(66.04515,1.1);(68.99619,4.9);(77.03917,8.21);(78.04176,1.3);(79.05491,2.9);(80.05518,1.0);(81.07057,3.1);(89.38793,1.2);(91.05429,27.73);(92.05191,1.2);(93.06799,12.81);(94.03976,2.0);(95.05032,3.1);(96.05665,1.0);(103.0554,18.72);(107.04916,100.0);(108.05239,4.8);(109.06258,11.21);(110.03881,1.8);(119.04739,7.01);(120.04459,1.0);(121.06287,19.02);(123.04114,1.0);(137.0592,14.21);(138.06783,2.0);(144.06195,1.4);(147.03815,1.2);(195.06783,1.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(81.03425,13.8);(106.04368,1.9);(121.0311,2.0);(123.04333,100.0);(124.0461,8.7);(229.08728,69.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03834,2.7);(91.05227,3.9);(93.06697,2.2);(94.07079,1.4);(103.04806,1.4);(104.05949,1.3);(107.04926,44.5);(108.05102,5.2);(109.06162,6.1);(110.06737,2.0);(111.04629,1.2);(118.07216,1.2);(119.04855,1.3);(121.06508,42.2);(125.0621,3.3);(137.05908,100.0);(138.05997,4.4);(231.10138,78.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03205,13.9);(77.03849,88.3);(78.04456,12.4);(79.05483,16.8);(91.04762,16.1);(103.05317,21.2);(107.04863,100.0);(145.6153,12.4);(158.96085,20.4);(231.10538,15.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.061,1.1);(69.03693,1.2);(77.03885,10.91);(78.04482,1.1);(79.0539,3.8);(80.05728,1.3);(81.06998,6.41);(91.0542,28.83);(92.0665,1.6);(93.0699,7.31);(94.07255,1.2);(95.05267,1.0);(102.03955,1.0);(103.05572,16.82);(104.1473,1.3);(107.04881,100.0);(108.05147,4.3);(109.06703,6.81);(110.04308,1.2);(119.04802,1.9);(121.06383,21.42);(122.06036,1.3);(122.9996,1.6);(124.05222,1.0);(125.0625,2.0);(137.05923,13.11);(138.06828,2.3);(143.08778,1.0);(167.09163,1.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(78.04838,50.9);(81.02996,100.0);(121.0272,33.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(123.04276,30.3);(124.04517,1.6);(229.086,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(78.16048,3.2);(81.03349,100.0);(82.02943,3.6);(83.04188,3.8);(93.02787,3.2);(119.05024,4.5);(122.03493,26.8);(123.04241,40.8);(124.05109,3.6);(169.06589,3.4);(229.08556,3.9)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.1114177887);(81.03403978,0.0976230177);(83.04968984,0.1259577783);(95.04968984,0.8693348669);(107.0496898,5.573589214);(111.0446045,0.8689337281);(119.0496898,0.6451737888);(121.0653399,2.16594944);(125.0602545,1.222968623);(135.0446045,0.6070400787);(137.0602545,2.162895623);(143.0496898,0.1716181591);(145.0653399,0.1446685123);(147.08099,0.1466600841);(149.0602545,0.0902118829);(151.0759046,0.1259577783);(159.0446045,0.0958199073);(161.0602545,0.1324105149);(161.09664,0.1268936287);(163.0759046,0.0852599443);(177.0915547,0.10188645);(185.0602545,0.263253441);(187.0759046,0.2791623736);(189.0915547,0.2898280482);(199.0759046,0.2530360472);(201.0915547,0.5620277055);(203.0708192,0.1385675702);(205.0864693,0.1056941957);(213.0915547,3.593585989);(215.0708192,1.016301291);(231.1021193,77.82627253)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(51.0234751,0.3053216568);(77.03912516,0.5912481459);(79.01838972,0.2948340403);(81.03403978,0.312233967);(83.04968984,0.3265543018);(95.04968984,1.396972691);(103.0547752,0.2954321622);(107.0496898,26.74610297);(111.0446045,1.341826987);(119.0496898,2.293047647);(121.0653399,6.082457273);(125.0602545,2.278049283);(131.0496898,0.3306677898);(135.0446045,2.008540421);(137.0602545,6.18747725);(143.0496898,0.919261986);(145.0653399,1.388693876);(147.08099,1.540146701);(151.0759046,0.3265543018);(161.0602545,0.3811163884);(173.0602545,0.5483515899);(175.0759046,0.5529799531);(177.0915547,0.4200464791);(185.0602545,1.277880359);(187.0759046,2.545175193);(189.0915547,2.322767706);(199.0759046,0.5342355509);(201.0915547,2.666210028);(213.0915547,3.375628918);(215.0708192,0.7556976325);(231.1021193,29.65448675)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,5.898695265);(53.03912516,2.309300816);(65.03912516,2.215485651);(67.05477522,1.612486106);(75.0234751,1.352908707);(77.03912516,12.15852176);(79.01838972,2.291046);(81.03403978,2.524173891);(89.03912516,1.878565356);(91.05477522,1.626469892);(93.03403978,2.139199954);(95.04968984,1.288911717);(101.0391252,1.770304344);(103.0547752,2.185799423);(107.0496898,21.61887655);(111.0446045,1.763226174);(117.0340398,1.667184576);(119.0496898,4.271413585);(121.0653399,2.752554192);(125.0602545,2.572793707);(131.0496898,1.301513408);(135.0446045,3.263598693);(137.0602545,3.390543668);(143.0496898,3.028103314);(145.0653399,1.668899396);(167.0496898,1.922157111);(185.0602545,1.349393416);(187.0759046,1.720008077);(189.0915547,2.028791601);(213.0915547,2.389654909);(215.0708192,2.039418742)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1493207186);(41.00273965,0.0724544754);(43.01838972,0.1270383367);(57.03403978,0.0251065261);(67.01838972,0.049414686);(81.03403978,0.0222315694);(83.01330434,0.0540665447);(93.03403978,0.1692307285);(105.0340398,0.0310090546);(109.0289544,0.165141722);(119.0496898,0.0255295056);(123.0446045,0.1589010254);(135.0446045,0.0255295056);(145.0653399,0.033859983);(149.0602545,0.0216975686);(157.0653399,0.179510079);(159.08099,0.4459135868);(161.0602545,0.0278136695);(161.09664,0.0391189536);(171.0446045,0.0159827888);(173.0602545,0.0142662985);(175.0759046,0.0217643195);(183.0446045,0.0703480946);(185.0602545,0.1363289655);(187.0759046,0.3277309906);(197.0602545,0.0855723971);(199.0759046,0.3219923081);(203.0708192,0.0835296749);(211.0759046,1.534222746);(213.0551691,0.1561691586);(229.0864693,95.40920402)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.1268961804);(41.00273965,0.0984201551);(67.01838972,0.0935795093);(81.03403978,0.1778746055);(83.01330434,0.0902731979);(93.03403978,0.5132531863);(105.0340398,0.1884122471);(109.0289544,0.4756714682);(119.0496898,0.1330503244);(123.0446045,0.5563093492);(135.0446045,0.1330503244);(145.0653399,0.2882602079);(149.0602545,0.1572375409);(157.0653399,0.5022416396);(159.08099,0.8930834649);(161.0602545,0.1500623841);(161.09664,0.2926584445);(171.0446045,0.1719726377);(173.0602545,0.1145688167);(175.0759046,0.1616468377);(183.0446045,0.789752529);(185.0602545,1.741278359);(187.0759046,3.407412184);(197.0602545,0.9627977427);(199.0395191,0.0762788467);(199.0759046,1.277550574);(201.0551691,0.182603565);(203.0708192,0.3427275835);(211.0759046,3.444793648);(213.0551691,1.029602043);(229.0864693,81.4266804)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,4.800246089);(67.01838972,1.209536943);(81.03403978,1.286051289);(91.01838972,1.051384829);(93.03403978,6.159661445);(105.0340398,6.506545369);(109.0289544,4.060243156);(117.0340398,1.60323326);(119.0496898,1.727496937);(123.0446045,4.946878949);(129.0340398,1.509436432);(133.0289544,1.60323326);(135.0446045,1.727496937);(143.0496898,1.765401778);(145.0653399,2.533701163);(157.0653399,3.277608809);(159.08099,3.211139276);(161.0602545,1.17473233);(161.09664,1.27058402);(171.0446045,2.212497413);(181.0653399,1.939464511);(183.0446045,2.762488704);(185.0602545,4.211186326);(187.0759046,8.511576063);(193.0653399,1.300640025);(197.0602545,3.113120744);(199.0759046,6.24040393);(203.0708192,1.268263317);(211.0759046,5.337396821);(213.0551691,3.456508513);(229.0864693,8.221841361)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.00329,40.71);(81.03459,15.66);(81.03459,15.66);(123.04515,99.06);(123.04515,99.06);(123.04515,99.06);(123.04515,99.06);(135.04515,9.65);(135.04515,9.65);(135.04515,9.65);(187.07645,11.25);(187.07645,11.25);(187.07645,11.25);(199.04007,8.86);(201.0921,12.7);(201.0921,12.7);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0);(229.08702,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,100.0);(43.01894,20.13);(49.00837,93.63);(51.02402,47.93);(63.02402,22.27);(65.00329,25.61);(65.03967,49.5);(65.03967,49.5);(67.05532,16.81);(67.05532,16.81);(75.02402,18.96);(77.03967,24.63);(77.03967,24.63);(91.01894,20.06);(91.01894,20.06);(91.05532,46.79);(93.03459,83.98);(93.03459,83.98);(93.03459,83.98);(101.03967,28.81);(117.03459,23.37);(117.03459,23.37);(117.03459,23.37);(117.03459,23.37);(119.05024,78.01);(119.05024,78.01);(119.05024,78.01);(119.05024,78.01);(123.04515,26.02);(123.04515,26.02);(123.04515,26.02);(123.04515,26.02);(129.03459,36.18);(133.0295,36.41);(133.0295,36.41);(133.0295,36.41);(147.04515,21.29);(171.04515,37.62);(171.04515,37.62);(201.0921,19.7);(201.0921,19.7);(211.07645,20.94);(211.07645,20.94)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(121.06479,16.48);(121.06479,16.48);(121.06479,16.48);(121.06479,16.48);(123.04406,5.36);(123.04406,5.36);(123.04406,5.36);(123.04406,5.36);(137.05971,22.58);(137.05971,22.58);(137.05971,22.58);(137.05971,22.58);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(55.05423,12.67);(67.05423,14.36);(67.05423,14.36);(77.03858,12.86);(79.05423,17.17);(79.05423,17.17);(81.03349,33.77);(81.03349,33.77);(95.04914,18.66);(95.04914,18.66);(95.04914,18.66);(95.04914,18.66);(95.04914,18.66);(103.05423,17.16);(103.05423,17.16);(107.04914,58.44);(107.04914,58.44);(107.04914,58.44);(107.04914,58.44);(109.06479,23.79);(117.03349,15.44);(117.03349,15.44);(117.03349,15.44);(117.03349,15.44);(119.04914,11.37);(119.04914,11.37);(119.04914,11.37);(119.04914,11.37);(119.04914,11.37);(121.06479,42.97);(121.06479,42.97);(121.06479,42.97);(121.06479,42.97);(123.04406,33.56);(123.04406,33.56);(123.04406,33.56);(123.04406,33.56);(125.05971,13.63);(125.05971,13.63);(125.05971,13.63);(125.05971,13.63);(133.02841,15.76);(133.02841,15.76);(133.02841,15.76);(135.04406,26.17);(135.04406,26.17);(135.04406,26.17);(135.04406,26.17);(137.05971,59.36);(137.05971,59.36);(137.05971,59.36);(137.05971,59.36);(143.04914,10.97);(145.06479,21.75);(145.06479,21.75);(157.06479,27.87);(157.06479,27.87);(185.09609,15.09);(185.09609,15.09);(203.10666,13.89);(203.10666,13.89);(213.09101,38.5);(213.09101,38.5);(213.09101,38.5);(213.09101,38.5);(213.09101,38.5);(213.09101,38.5);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0);(231.10157,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,18.2);(51.02293,14.36);(55.01784,13.53);(65.03858,34.13);(65.03858,34.13);(67.05423,43.69);(67.05423,43.69);(77.03858,81.25);(79.05423,67.42);(79.05423,67.42);(81.03349,25.77);(81.03349,25.77);(89.03858,13.73);(91.01784,15.08);(91.01784,15.08);(91.05423,100.0);(93.03349,12.55);(93.03349,12.55);(93.06988,46.79);(103.05423,27.1);(103.05423,27.1);(105.03349,18.44);(105.03349,18.44);(105.03349,18.44);(107.04914,68.91);(107.04914,68.91);(107.04914,68.91);(107.04914,68.91);(113.05971,13.9);(113.05971,13.9);(113.05971,13.9);(113.05971,13.9);(125.03858,44.25);(127.05423,70.46);(129.06988,16.92);(129.06988,16.92);(141.03349,21.15);(141.03349,21.15);(141.06988,13.37);(145.06479,38.07);(145.06479,38.07);(147.08044,23.35);(147.08044,23.35);(147.08044,23.35);(157.06479,20.73);(157.06479,20.73);(159.08044,24.47);(159.08044,24.47);(167.04914,60.64);(167.04914,60.64);(167.04914,60.64);(167.04914,60.64);(185.05971,13.71);(185.05971,13.71);(185.05971,13.71);(185.09609,19.49);(185.09609,19.49);(213.09101,17.57);(213.09101,17.57);(213.09101,17.57);(213.09101,17.57);(213.09101,17.57);(213.09101,17.57)

Food Sources

	Name	Group
	Red wine	Beverages, Alcoholic	Publications	Show
	White wine	Beverages, Alcoholic	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Piceid (trans-)	Almond	Nuts	Publications	Show
Piceid (trans-)	Apple	Fruit, Pomes	Publications	Show
Resveratrol (trans-)	Apple juice	Beverages, Non-alcoholic	Publications	Show
Piceid (trans-)	Beer	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Beer	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Bilberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Black tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Blueberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Camomile tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Ceylon tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Chocolate	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Chocolate	Cocoa and cocoa products	Publications	Show
Piceid (trans-)	Cocoa liquor	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Cocoa liquor	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Coffee	Coffee and coffee products	Publications	Show
Resveratrol (trans-)	Cranberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Deerberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Dessert wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	European cranberry	Fruit, Berries	Publications	Show
Piceid (trans-)	Garden rhubarb	Vegetables, Other vegetables	Publications	Show
Resveratrol (trans-)	Green tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Itadori tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Itadori tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Lentil coat	Pulses and beans	Publications	Show
Piceid (trans-)	Lingonberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Lingonberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Mulberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Partridge berry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Peach juice	Beverages, Non-alcoholic	Publications	Show
Piceid (trans-)	Peanut	Nuts	Publications	Show
Resveratrol (trans-)	Peanut	Nuts	Publications	Show
Piceid (trans-)	Pistachio	Nuts	Publications	Show
Resveratrol (trans-)	Pistachio	Nuts	Publications	Show
Piceid (trans-)	Pomace	Fruit, Other fruits	Publications	Show
Resveratrol (trans-)	Pomace	Fruit, Other fruits	Publications	Show
Resveratrol (trans-)	Red champagne	Beverages, Alcoholic	Publications	Show
Piceid (trans-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Red tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Red wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red wine grape	Beverages, Alcoholic	Publications	Show
Piceid (trans-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Sparkleberry	Fruit, Berries	Publications	Show
Piceid (trans-)	Strawberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Tilia tea	Teas and herbal teas	Publications	Show
Piceid (trans-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Resveratrol (trans-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Piceid (trans-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Piceid (trans-)	White wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	White wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	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
Dihydro-resveratrol	Dihydro-resveratrol-3-O-glucuronide	Not Available	Not Available	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₉	406.126382288
Dihydro-resveratrol	Dihydro-resveratrol-3-O-sulfate	Not Available	Not Available	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₄O₆S	310.051109345
Dihydro-resveratrol	Dihydro-resveratrol sulfate	rat	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₄O₆S	310.0511	Publications
Dihydro-resveratrol	Dihydro-resveratrol-glucuronide	rat	plasma	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₉	406.1264	Publications
Piceid (trans-)	Dihydro-resveratrol	in vitro (rat)	gut microbiota	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₄H₁₄O₃	230.094294311	Publications
Resveratrol (trans-)	Dihydro-resveratrol	B. uniformis - ATCC 8492 (in vitro) E. lenta - ATCC 43055 (in vitro) human in vitro (human) pig rat	colon tissue, colorectal tissue, feces, ileum tissue, liver, plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	Not Available	C₁₄H₁₄O₃	230.094294311	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Dihydro-resveratrol