PhytoHub: Showing entry for Dihydroferulic acid-4'-O-glucuronide

Dihydroferulic acid-4'-O-glucuronide

Identification

PhytoHub ID

PHUB001435

Name

Dihydroferulic acid-4'-O-glucuronide

Systematic Name

3-(3'-methoxyphenyl)propanoic acid-4'-glucuronide

Synonyms

3-(3-methoxyphenyl)propionic acid-4-glucuronide
3-(3-Methoxyphenyl)propionic acid-4-O-glucuronide
dihydroferulic acid-4-glucuronide
Dihydroferulic acid-4-O-glucuronide

CAS Number

86321-28-0

Average Mass

372.326

Monoisotopic Mass

372.105646844

Chemical Formula

C₁₆H₂₀O₁₀

IUPAC Name

(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI Key

KYERCTIKYSSKPA-JHZZJYKESA-N

InChI Identifier

InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.96e+00 g/l
LogS (ALOGPS): -1.88
LogP (ALOGPS): -0.24
Hydrogen Acceptors: 10
Hydrogen Donors: 5
Rotatable Bond Count: 7
Polar Surface Area: 162.98
Refractivity: 82.4225
Polarizability: 35.15537805790356
Formal Charge: 0
Physiological Charge: -2
pKa (strongest basic): -3.6868279760573377
pKa (strongest acidic): 3.045350255368854
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 190069
Phenol-Explorer: 967
FooDB (Compounds): FDB029889
PeakForestCompound: 000879

Taxonomy as Metabolite

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

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Coffee hydroxycinnamates	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Caffeic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Orange flavanones	Polyphenols	Flavonoids	Flavanones	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
Yerba mate Chlorogenic acids	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical
Ferulic acid	Polyphenols	Phenolic acids	Hydroxycinnamic acids	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Organooxygen compounds
Super-class: Organic oxygen compounds
Sub-class: Carbohydrates and carbohydrate conjugates
Direct Parent Name: Phenolic glycosides
Alternative Parent Names: ["Acetals", "Alkyl aryl ethers", "Anisoles", "Beta hydroxy acids and derivatives", "Carbonyl compounds", "Carboxylic acids", "Dicarboxylic acids and derivatives", "Hexoses", "Hydrocarbon derivatives", "Methoxybenzenes", "O-glucuronides", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenoxy compounds", "Phenylpropanoic acids", "Polyols", "Pyrans", "Secondary alcohols"]
External Descriptor Annotations: Not Available
Substituent Names: ["1-o-glucuronide", "3-phenylpropanoic-acid", "Acetal", "Alcohol", "Alkyl aryl ether", "Anisole", "Aromatic heteromonocyclic compound", "Benzenoid", "Beta-hydroxy acid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Dicarboxylic acid or derivatives", "Ether", "Glucuronic acid or derivatives", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxy acid", "Methoxybenzene", "Monocyclic benzene moiety", "Monosaccharide", "O-glucuronide", "O-glycosyl compound", "Organic oxide", "Organoheterocyclic compound", "Oxacycle", "Oxane", "Phenol ether", "Phenolic glycoside", "Phenoxy compound", "Polyol", "Pyran", "Secondary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(29.00219012,2.866450739);(44.99710422,3.083079397);(58.00492882,1.0486047);(59.01275342,5.450374872);(60.02057802,1.071789568);(87.00766752,0.9547564408);(88.01549212,1.36625052);(89.02331672,0.9668429919);(90.03114132,1.40878019);(137.059701,0.8772882231);(196.073003,1.250658267);(207.0651784,0.8815934238);(223.0600925,0.8399993522);(224.0679171,1.054355898);(237.0757417,1.410307498);(238.0835663,1.12120564);(253.0706558,1.485012513);(254.0784804,1.157010382);(266.0784804,0.9652736812);(267.086305,1.511045245);(268.0941296,1.094351649);(284.0890437,1.048185621);(297.0968683,0.8771592864);(311.0761332,1.637912921);(313.0917824,2.288796821);(326.099607,1.057979819);(327.1074316,1.935345793);(341.0866965,0.8412608799);(342.0945211,0.8556523515);(354.0945211,2.899340531);(355.1023457,2.779902116)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,2.177587629);(89.04171392,1.221954548);(131.0522772,1.486804611);(132.0601018,0.7151838888);(145.0315421,0.9751818394);(203.091801,0.9536566199);(204.0996256,1.011393963);(231.0867151,1.036650613);(232.0945397,1.304543564);(233.1023643,1.748455379);(234.1101889,1.027893989);(247.0816292,1.095700062);(248.0894538,0.8652415554);(253.089053,0.8481217048);(267.1047022,0.702713243);(268.1125268,0.9399729247);(309.1152655,0.7809744992);(325.1101796,0.7533655138);(363.1473655,0.7069423694);(393.1579288,1.441199251);(527.1947046,1.002649981);(529.2103538,1.343605825);(543.226003,3.00809089);(544.2280704,1.293500281);(571.2209171,1.950733965);(572.2230189,0.8613970425);(587.2158312,0.9616117559);(588.2236558,0.848067993);(645.2397058,7.504084658);(646.2416222,3.871154838);(647.2402938,2.109380563)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(29.00219012,2.866450739);(44.99710422,3.083079397);(58.00492882,1.0486047);(59.01275342,5.450374872);(60.02057802,1.071789568);(87.00766752,0.9547564408);(88.01549212,1.36625052);(89.02331672,0.9668429919);(90.03114132,1.40878019);(137.059701,0.8772882231);(196.073003,1.250658267);(207.0651784,0.8815934238);(223.0600925,0.8399993522);(224.0679171,1.054355898);(237.0757417,1.410307498);(238.0835663,1.12120564);(253.0706558,1.485012513);(254.0784804,1.157010382);(266.0784804,0.9652736812);(267.086305,1.511045245);(268.0941296,1.094351649);(284.0890437,1.048185621);(297.0968683,0.8771592864);(311.0761332,1.637912921);(313.0917824,2.288796821);(326.099607,1.057979819);(327.1074316,1.935345793);(341.0866965,0.8412608799);(342.0945211,0.8556523515);(354.0945211,2.899340531);(355.1023457,2.779902116)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(29.00219012,2.866450739);(44.99710422,3.083079397);(58.00492882,1.0486047);(59.01275342,5.450374872);(60.02057802,1.071789568);(87.00766752,0.9547564408);(88.01549212,1.36625052);(89.02331672,0.9668429919);(90.03114132,1.40878019);(137.059701,0.8772882231);(196.073003,1.250658267);(207.0651784,0.8815934238);(223.0600925,0.8399993522);(224.0679171,1.054355898);(237.0757417,1.410307498);(238.0835663,1.12120564);(253.0706558,1.485012513);(254.0784804,1.157010382);(266.0784804,0.9652736812);(267.086305,1.511045245);(268.0941296,1.094351649);(284.0890437,1.048185621);(297.0968683,0.8771592864);(311.0761332,1.637912921);(313.0917824,2.288796821);(326.099607,1.057979819);(327.1074316,1.935345793);(341.0866965,0.8412608799);(342.0945211,0.8556523515);(354.0945211,2.899340531);(355.1023457,2.779902116)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(73.0289544,0.5353041708);(87.00821896,0.4753490992);(99.00821896,0.4991538262);(117.0187836,0.635141226);(133.0653399,0.7431077052);(137.0602545,1.24432075);(149.0602545,1.676073472);(151.0759046,1.611525803);(153.0915547,0.4291869769);(159.0293483,0.7211408962);(161.0602545,3.163394285);(163.0759046,0.8227855529);(177.039913,2.516014239);(177.0551691,2.082318145);(179.0708192,13.44608134);(181.0500838,0.7904644466);(181.0864693,2.555109354);(195.0504777,0.4607884476);(197.0813839,17.67314478);(293.0661278,0.3461296638);(295.0817778,0.7723537174);(299.0766924,0.4871038237);(309.0974279,1.468168331);(311.0766924,0.5493838546);(313.0923425,2.010581268);(327.1079926,2.580401903);(329.1236426,0.4750637618);(337.0923425,8.535966595);(337.0923425,0.5578815008);(355.1029072,17.57720361);(373.1134719,12.55935746)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.4771831493);(71.01330434,0.707547783);(73.0289544,1.583256684);(125.0602545,0.8940393777);(133.0653399,1.33971116);(135.08099,0.5925282684);(137.0602545,4.161541648);(139.0759046,0.8920159423);(149.0602545,8.467189922);(151.0759046,6.684020821);(153.0915547,3.179431871);(159.0293483,2.356299854);(161.0602545,1.584587403);(163.0395191,0.617937374);(165.0551691,0.9773134715);(167.0708192,1.36195496);(177.039913,3.45634934);(177.0551691,1.138889621);(179.0708192,16.33627891);(181.0500838,2.640029282);(181.0864693,2.765922178);(195.0657338,0.6475857924);(197.0813839,23.72188922);(295.0817778,0.5903571897);(309.0974279,1.673851695);(313.0923425,0.7665800012);(327.1079926,2.049232112);(329.1236426,0.6431950422);(337.0923425,3.021415936);(355.1029072,3.434548944);(373.1134719,1.237315048)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,1.689975089);(71.01330434,1.772108307);(73.0289544,1.878685739);(87.00821896,2.859996809);(89.02386902,0.876224262);(95.01330434,1.693620564);(105.0187836,1.015898779);(117.0187836,1.849018875);(121.0289544,0.8708703798);(123.0446045,0.9543489973);(125.0602545,3.205349838);(131.0344337,0.8708643673);(133.0653399,6.304160127);(135.08099,1.447831469);(137.0602545,10.40664193);(139.0759046,0.9111301566);(149.0602545,16.69887872);(151.0395191,0.9127500943);(151.0759046,8.123633225);(153.0915547,2.270456193);(159.0293483,1.852914506);(161.0449984,1.876932);(163.0606485,1.414187376);(165.0551691,1.507959335);(177.039913,2.184240315);(177.0551691,1.508027873);(179.0708192,8.167007581);(181.0500838,5.205737693);(183.1021193,1.206105118);(197.0813839,7.386624811);(311.0766924,1.077819466)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(41.00273965,0.7269402763);(56.99765427,1.218540753);(59.01330434,1.843549815);(71.01330434,1.776911937);(87.00821896,2.212174504);(89.02386902,2.440000554);(103.0031336,1.536263142);(117.0187836,2.62623697);(147.0293483,2.432537689);(149.0449984,0.9026609537);(149.0602545,0.8982330247);(151.0759046,1.525972644);(163.0242629,0.8384153333);(175.0242629,1.89339228);(177.0551691,1.818878466);(179.0344337,1.726455564);(191.0708192,0.7389203386);(193.0348276,3.962548628);(195.0657338,17.20491038);(219.0657338,0.6844367143);(221.0813839,0.7616392395);(237.0762985,1.261762348);(253.0712131,0.8037879651);(283.1181633,0.8807853128);(309.0974279,2.890330691);(311.0766924,0.7287944847);(325.0923425,3.538302659);(327.1079926,9.656962275);(341.0872571,0.755610572);(353.0872571,4.380642639);(371.0978218,25.33340184)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(43.01838972,1.309718934);(59.01330434,4.887883193);(73.0289544,1.49436913);(87.00821896,2.205674389);(89.02386902,1.957919374);(103.0395191,2.114577844);(117.0187836,0.9731490807);(135.0446045,1.739266709);(145.0136983,1.020097834);(147.0293483,2.189542285);(147.0446045,1.139867167);(149.0602545,3.47658737);(151.0759046,3.674277716);(163.0395191,1.358905148);(165.0551691,1.082387244);(175.0242629,2.55722016);(177.0551691,4.626543299);(179.0344337,9.531272609);(193.0348276,1.962913224);(195.0657338,23.75572114);(237.0762985,1.275148725);(281.1025133,1.221692424);(283.1181633,1.199719134);(309.0974279,4.259893456);(311.0766924,2.785528126);(325.0923425,2.485749207);(327.1079926,4.871479383);(341.0872571,1.037143397);(353.0872571,3.444689984);(355.0665217,0.9997333866);(371.0978218,3.361328931)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,1.761279693);(43.01838972,3.520927788);(44.99765427,0.8242172957);(56.99765427,0.7565561271);(59.01330434,13.42535169);(61.0289544,4.00434603);(71.01330434,1.168976487);(73.0289544,1.98398791);(87.00821896,0.8564420207);(89.02386902,0.8823677822);(91.03951908,0.7421722484);(103.0395191,1.135449932);(119.0344337,0.8630065624);(123.0446045,1.136173457);(131.0344337,3.877097302);(135.0446045,2.039168652);(147.0293483,2.953102927);(147.0446045,1.100784156);(149.023869,1.147203838);(149.0449984,1.332397232);(149.0602545,3.672206596);(151.0395191,0.7358432274);(151.0759046,3.492527805);(153.0551691,0.9365795709);(163.0395191,2.856376427);(165.0551691,3.946228938);(177.0551691,3.39502644);(179.0344337,14.68667984);(193.0500838,1.679528977);(195.0657338,18.35458454);(311.0766924,0.7334085083)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(159.0288,15.68);(159.0288,15.68);(159.0288,15.68);(159.0288,15.68);(179.07027,9.2);(179.07027,9.2);(179.07027,9.2);(179.07027,9.2);(179.07027,9.2);(267.08631,9.37);(267.08631,9.37);(267.08631,9.37);(295.08123,11.86);(295.08123,11.86);(295.08123,11.86);(295.08123,11.86);(309.06049,9.61);(309.09688,18.83);(309.09688,18.83);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(313.09179,15.87);(327.10744,18.76);(327.10744,18.76);(327.10744,18.76);(327.10744,18.76);(337.09179,40.78);(337.09179,40.78);(337.09179,40.78);(337.09179,40.78);(337.09179,40.78);(337.09179,40.78);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82);(373.11292,47.82)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(129.01824,7.02);(131.03389,15.0);(157.01315,5.4);(157.01315,5.4);(157.01315,5.4);(159.0288,13.83);(159.0288,13.83);(159.0288,13.83);(159.0288,13.83);(161.04445,5.77);(161.04445,5.77);(161.04445,5.77);(161.04445,5.77);(161.05971,7.74);(165.05462,8.23);(165.05462,8.23);(165.05462,8.23);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(177.03936,28.69);(179.07027,30.13);(179.07027,30.13);(179.07027,30.13);(179.07027,30.13);(179.07027,30.13);(181.08592,19.51);(181.08592,19.51);(181.08592,19.51);(195.04993,6.48);(195.04993,6.48);(195.04993,6.48);(195.04993,6.48);(195.04993,6.48);(195.04993,6.48);(197.08084,27.5);(197.08084,27.5);(197.08084,27.5);(221.08084,5.4);(239.0914,18.04);(239.0914,18.04);(255.08631,8.3);(257.10196,16.01);(269.10196,10.28);(269.10196,10.28);(269.10196,10.28);(281.10196,10.97);(281.10196,10.97);(295.08123,10.18);(295.08123,10.18);(295.08123,10.18);(295.08123,10.18);(297.09688,5.76);(299.11253,16.79);(307.08123,6.28);(307.08123,6.28);(309.09688,36.2);(309.09688,36.2);(311.11253,15.62);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(313.09179,8.73);(323.07614,6.84);(323.07614,6.84);(327.10744,19.25);(327.10744,19.25);(327.10744,19.25);(327.10744,19.25);(337.09179,82.92);(337.09179,82.92);(337.09179,82.92);(337.09179,82.92);(337.09179,82.92);(337.09179,82.92);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(355.10236,100.0);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81);(373.11292,26.81)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(45.03349,19.91);(61.02841,45.12);(61.02841,45.12);(73.02841,16.9);(73.02841,16.9);(101.02332,37.78);(101.02332,37.78);(101.02332,37.78);(101.02332,37.78);(103.03897,28.03);(103.03897,28.03);(103.03897,28.03);(103.03897,28.03);(105.01824,18.54);(107.04914,24.64);(119.03389,21.99);(119.03389,21.99);(119.03389,21.99);(121.06479,25.2);(129.01824,100.0);(131.04914,17.3);(133.04954,58.8);(133.06479,43.52);(135.08044,24.95);(137.05971,31.62);(137.05971,31.62);(159.0288,22.47);(159.0288,22.47);(159.0288,22.47);(159.0288,22.47);(159.04406,21.58);(161.04445,36.89);(161.04445,36.89);(161.04445,36.89);(161.04445,36.89);(161.05971,30.04);(163.07536,29.41);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(177.03936,23.98);(179.07027,19.33);(179.07027,19.33);(179.07027,19.33);(179.07027,19.33);(179.07027,19.33);(197.08084,92.19);(197.08084,92.19);(197.08084,92.19);(207.06519,27.48);(209.08084,18.36);(239.0914,19.23);(239.0914,19.23);(257.10196,21.08);(297.09688,17.01);(299.11253,32.08);(311.07614,16.76);(311.07614,16.76);(311.07614,16.76);(311.07614,16.76)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(59.01385,4.43);(59.01385,4.43);(149.0608,2.68);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(175.02481,8.73);(179.03498,2.69);(193.05063,3.68);(195.06628,6.61);(195.06628,6.61);(195.06628,6.61);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(327.10854,3.55);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(353.08781,15.11);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0);(371.09837,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.00329,18.87);(59.01385,100.0);(59.01385,100.0);(72.99312,10.97);(75.00877,15.13);(87.00877,7.86);(87.00877,7.86);(87.00877,7.86);(89.02442,8.31);(89.02442,8.31);(117.01933,7.88);(117.01933,7.88);(117.01933,7.88);(133.06589,11.91);(147.0299,27.49);(147.0299,27.49);(149.04555,15.68);(149.04555,15.68);(149.0608,28.56);(151.04007,6.11);(151.07645,14.52);(163.04007,7.36);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(175.02481,17.29);(179.03498,37.35);(193.03538,12.44);(193.03538,12.44);(193.03538,12.44);(193.03538,12.44);(193.03538,12.44);(193.03538,12.44);(193.03538,12.44);(193.05063,5.79);(195.06628,36.85);(195.06628,36.85);(195.06628,36.85);(237.07685,8.81);(237.07685,8.81);(239.0925,6.73);(239.0925,6.73);(283.11871,10.43);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(309.09798,32.37);(311.07724,12.03);(311.07724,12.03);(311.07724,12.03);(311.07724,12.03);(311.07724,12.03);(323.07724,8.56);(323.07724,8.56);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(327.10854,26.46);(351.07216,14.52);(351.07216,14.52);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(353.08781,28.77);(369.08272,21.14);(369.08272,21.14);(369.08272,21.14);(369.08272,21.14);(369.08272,21.14);(369.08272,21.14);(369.08272,21.14);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72);(371.09837,20.72)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,100.0);(43.01894,18.59);(59.01385,58.79);(59.01385,58.79);(68.9982,15.95);(73.0295,19.33);(73.0295,19.33);(75.00877,17.56);(87.00877,9.94);(87.00877,9.94);(87.00877,9.94);(117.01933,10.32);(117.01933,10.32);(117.01933,10.32);(119.03498,13.64);(119.03498,13.64);(131.03498,13.85);(133.06589,15.88);(135.08154,16.71);(149.0608,80.75);(151.07645,72.23);(163.04007,12.13);(163.07645,8.99);(179.03498,20.53);(193.05063,10.24);(193.08702,24.63);(195.06628,21.73);(195.06628,21.73);(195.06628,21.73);(207.06628,16.73);(207.06628,16.73);(209.08193,11.66);(241.10815,9.36);(281.06668,12.45);(281.06668,12.45);(299.11363,14.17);(311.07724,9.58);(311.07724,9.58);(311.07724,9.58);(311.07724,9.58);(311.07724,9.58);(315.07216,9.94);(325.09289,20.45);(325.09289,20.45);(325.09289,20.45);(325.09289,20.45);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(353.08781,10.67);(369.08272,90.96);(369.08272,90.96);(369.08272,90.96);(369.08272,90.96);(369.08272,90.96);(369.08272,90.96);(369.08272,90.96)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Caffeic acid	American cranberry	Fruit, Berries	Publications	Show
Ferulic acid	American cranberry	Fruit, Berries	Publications	Show
Caffeic acid	Apple	Fruit, Pomes	Publications	Show
Caffeic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
Ferulic acid	Apple juice	Beverages, Non-alcoholic	Publications	Show
Caffeic acid	Beer	Beverages, Alcoholic	Publications	Show
Ferulic acid	Beer	Beverages, Alcoholic	Publications	Show
Ferulic acid	Bilberry	Fruit, Berries	Publications	Show
Ferulic acid	Black mulberry	Fruit, Berries	Publications	Show
Caffeic acid	Blackberry	Fruit, Berries	Publications	Show
Ferulic acid	Blackberry	Fruit, Berries	Publications	Show
Caffeic acid	Blueberry	Fruit, Berries	Publications	Show
Ferulic acid	Blueberry	Fruit, Berries	Publications	Show
Caffeic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Ferulic acid	Broccoli	Vegetables, Cabbages	Publications	Show
Caffeic acid	Carrot	Vegetables, Root vegetables	Publications	Show
Caffeic acid	Cider	Beverages, Alcoholic	Publications	Show
Ferulic acid	Cocoa bean	Cocoa and cocoa products	Publications	Show
Caffeic acid	Coffee	Coffee and coffee products	Publications	Show
Ferulic acid	Coffee	Coffee and coffee products	Publications	Show
Ferulic acid	Common bean	Pulses and beans	Publications	Show
Ferulic acid	Common walnut	Nuts	Publications	Show
Caffeic acid	Common wheat	Cereals and cereal products	Publications	Show
Ferulic acid	Common wheat	Cereals and cereal products	Publications	Show
Ferulic acid	Corn	Cereals and cereal products	Publications	Show
Ferulic acid	Date	Fruit, Other fruits	Publications	Show
Caffeic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	Eggplant	Vegetables, Fruit vegetables	Publications	Show
Caffeic acid	European cranberry	Fruit, Berries	Publications	Show
Ferulic acid	European cranberry	Fruit, Berries	Publications	Show
Caffeic acid	European plum	Fruit, Drupes	Publications	Show
Ferulic acid	Fennel	Herbs and Spices	Publications	Show
Ferulic acid	Grapefruit	Fruit, Citrus	Publications	Show
Ferulic acid	Hard wheat	Cereals and cereal products	Publications	Show
Caffeic acid	Mate	Teas and herbal teas	Publications	Show
Caffeic acid	Olive, black	Fruit, Drupes	Publications	Show
Ferulic acid	Olive, black	Fruit, Drupes	Publications	Show
Caffeic acid	Olive, green	Fruit, Drupes	Publications	Show
Ferulic acid	Olive, green	Fruit, Drupes	Publications	Show
Ferulic acid	Orange juice	Beverages, Non-alcoholic	Publications	Show
Caffeic acid	Pear	Fruit, Pomes	Publications	Show
Ferulic acid	Rapeseed	Oilseed crops	Publications	Show
Ferulic acid	Red raspberry	Fruit, Berries	Publications	Show
Ferulic acid	Rice	Cereals and cereal products	Publications	Show
Ferulic acid	Rosemary	Herbs and Spices	Publications	Show
Ferulic acid	Rye bread	Cereals and cereal products	Publications	Show
Ferulic acid	Spinach	Vegetables, Leaf vegetables	Publications	Show
Caffeic acid	Strawberry	Fruit, Berries	Publications	Show
Ferulic acid	Strawberry	Fruit, Berries	Publications	Show
Caffeic acid	Sweet cherry	Fruit, Drupes	Publications	Show
Ferulic acid	Sweet orange	Fruit, Citrus	Publications	Show
Ferulic acid	Tarragon	Herbs and Spices	Publications	Show
Caffeic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	Tomato	Vegetables, Fruit vegetables	Publications	Show
Ferulic acid	White wine	Beverages, Alcoholic	Publications	Show
Caffeic acid	White wine grape	Fruit, Berries	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Coffee hydroxycinnamates	Dihydroferulic acid-4'-O-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Caffeic acid	Dihydroferulic acid-4'-O-glucuronide	human	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₆H₂₀O₁₀	372.105646844		Publications
Orange flavanones	Dihydroferulic acid-4'-O-glucuronide	human	plasma	host-gut microbiota co-metabolite	5h-8h	20-50 nmol/L	Not Available	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Black tea Flavan-3-ols	Dihydroferulic acid-4'-O-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	<1%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Coffee Chlorogenic acids	Dihydroferulic acid-4'-O-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	1-5%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Yerba mate Chlorogenic acids	Dihydroferulic acid-4'-O-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	5h-8h	50-200 nmol/L	<1%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications
Ferulic acid	Dihydroferulic acid-4'-O-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	1-5%	C₁₆H₂₀O₁₀	372.105646844	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value
	Coffee Chlorogenic acids		Dihydroferulic acid-4'-O-glucuronide	Microbiota	Effect, clusters	Publications

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Showing entry for Dihydroferulic acid-4'-O-glucuronide