precursor

Showing entry for Petunidin 3-O-glucoside

Identification

PhytoHub ID
PHUB001661
Name
Petunidin 3-O-glucoside
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
479.413
Monoisotopic Mass
479.118402601
Chemical Formula
C22H23O12
IUPAC Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
InChI Key
CCQDWIRWKWIUKK-QKYBYQKWSA-O
InChI Identifier
InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1
SMILES
COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.57e-01 g/l
LogS (ALOGPS)
-2.97
LogP (ALOGPS)
1.04
Hydrogen Acceptors
12
Hydrogen Donors
8
Rotatable Bond Count
5
Polar Surface Area
202.67
Refractivity
122.72070000000001
Polarizability
45.86033101136944
Formal Charge
1
Physiological Charge
-1
pKa (strongest basic)
-2.9810923799280262
pKa (strongest acidic)
6.394358831401566
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Anthocyanins

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavonoid glycosides
Direct Parent Name
Anthocyanidin-3-O-glycosides
Alternative Parent Names
["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-O-methylated flavonoids", "3'-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Acetals", "Alkyl aryl ethers", "Anisoles", "Anthocyanidins", "Catechols", "Flavonoid-3-O-glycosides", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "O-glycosyl compounds", "Organic cations", "Oxacyclic compounds", "Oxanes", "Phenoxy compounds", "Polyols", "Primary alcohols", "Secondary alcohols"]
External Descriptor Annotations
["Anthocyanidins and anthocyanins", "anthocyanin cation", "aromatic ether", "beta-D-glucoside"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Acetal", "Alcohol", "Alkyl aryl ether", "Anisole", "Anthocyanidin", "Anthocyanidin-3-o-glycoside", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Ether", "Flavonoid-3-o-glycoside", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxyflavonoid", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Monosaccharide", "O-glycosyl compound", "Organic cation", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenol ether", "Phenoxy compound", "Polyol", "Primary alcohol", "Secondary alcohol"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(29.00219012,0.7821277343);(43.01783932,1.435604033);(56.99710422,3.61643255);(58.00492882,1.145118074);(59.01275342,4.350434919);(71.01275342,2.102506721);(72.02057802,2.053636363);(73.02840262,2.603059516);(88.01549212,1.360797618);(89.02331672,2.991240356);(102.0311413,1.398708158);(103.0389659,0.8407116993);(118.0260554,0.7169931598);(131.03388,0.9122561099);(132.0417046,1.083008939);(161.0444433,1.312347153);(162.0522679,1.033855919);(316.0577453,1.182133295);(357.060484,0.8358746903);(373.0553981,1.271339285);(374.0632227,0.9896996182);(387.0710473,1.592790523);(388.0788719,1.323940384);(403.0659614,1.179438581);(417.0816106,2.07346838);(418.0894352,1.208135714);(447.0921739,2.795470987);(448.0999985,1.431234336);(460.0999985,2.827609052);(461.1078231,3.05498896);(462.1112289,0.7745636658)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(43.01783932,1.298270584);(56.99710422,3.499496847);(58.00492882,1.03631879);(59.01275342,5.230970575);(71.01275342,1.531083517);(72.02057802,1.858517474);(73.02840262,1.848357442);(88.01549212,1.231506316);(102.0311413,1.262340879);(103.0389659,0.9676924783);(119.03388,1.008439781);(131.03388,0.8255813697);(132.0417046,0.9801107312);(133.0495292,0.8580165258);(161.0444433,1.187659198);(162.0522679,0.9356278096);(603.1896187,1.016915192);(604.1974433,0.845265262);(621.1817848,1.033326575);(622.1896094,1.098540911);(633.200182,1.323001124);(663.2107453,1.882356192);(664.2129911,0.9379691637);(664.2185699,0.8851033335);(676.2185699,1.802442879);(677.2208413,0.9185955411);(677.2263945,1.872110487);(678.2286671,0.9543817435);(679.2056594,7.159867212);(680.2079067,3.570412136);(681.2070336,1.746543839)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(29.00219012,0.7821277343);(43.01783932,1.435604033);(56.99710422,3.61643255);(58.00492882,1.145118074);(59.01275342,4.350434919);(71.01275342,2.102506721);(72.02057802,2.053636363);(73.02840262,2.603059516);(88.01549212,1.360797618);(89.02331672,2.991240356);(102.0311413,1.398708158);(103.0389659,0.8407116993);(118.0260554,0.7169931598);(131.03388,0.9122561099);(132.0417046,1.083008939);(161.0444433,1.312347153);(162.0522679,1.033855919);(316.0577453,1.182133295);(357.060484,0.8358746903);(373.0553981,1.271339285);(374.0632227,0.9896996182);(387.0710473,1.592790523);(388.0788719,1.323940384);(403.0659614,1.179438581);(417.0816106,2.07346838);(418.0894352,1.208135714);(447.0921739,2.795470987);(448.0999985,1.431234336);(460.0999985,2.827609052);(461.1078231,3.05498896);(462.1112289,0.7745636658)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(125.0244,22.38676);(187.0401,9.60511);(199.04,7.752613);(215.034,12.57259);(227.0363,11.515679);(243.0302,23.318815);(253.0157,6.416957);(255.0291,11.260163);(271.0265,32.491289);(272.0314,6.469222);(299.0209,62.86295);(300.0279,24.454123);(314.0438,100.0);(315.0522,81.475029);(477.1033,99.796748)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(203.0361,4.811093);(217.0519,4.979904);(245.0469,6.623794);(274.0492,8.536977);(302.044,21.101286);(317.0669,100.0);(479.1189,16.655949)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(69.7641,2.13);(85.02384,2.48);(139.03769,2.13);(247.05888,2.13);(302.03757,2.48);(312.078,2.48);(317.06357,25.62);(318.07645,100.0);(324.05618,2.48);(462.23486,2.48)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(31.01838972,0.3094635907);(45.03403978,0.6765105146);(47.04968984,0.330376804);(57.03403978,0.2233171635);(75.04460446,0.4739316938);(85.0289544,0.7781695121);(103.0395191,2.134315052);(105.0551691,0.5830563071);(115.0395191,0.248728265);(133.0500838,0.9092709809);(135.0657338,0.3933074999);(145.0500838,1.005828447);(147.0657338,0.2914664816);(163.0606485,7.016872039);(165.0762985,0.3755723709);(181.0712131,1.665634285);(315.1807636,0.6593671513);(317.1964136,0.6540528239);(331.1756782,1.003746306);(333.1913283,1.003746306);(373.1862429,0.2172542929);(375.201893,0.2172542929);(433.2073723,0.2391000159);(435.2230223,0.2650771481);(437.2386724,0.2375493976);(459.2230223,0.30381252);(463.2179369,0.3337825154);(465.233587,0.2616993545);(477.233587,11.54607052);(479.2128516,0.7741996543);(480.1267762,64.8674667)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,1.354842646);(45.03403978,2.263367225);(47.04968984,0.5977920282);(55.01838972,0.4497331118);(57.03403978,0.5524131572);(59.04968984,0.6031265436);(73.0289544,0.5951554323);(75.04460446,0.8794188455);(85.0289544,0.5422207895);(103.0395191,0.7258093798);(145.0500838,6.71283804);(147.0657338,3.403754218);(149.0813839,0.5258232978);(163.0606485,10.94848071);(165.0762985,2.34064977);(181.0712131,0.459904662);(301.1651135,0.7572978689);(303.1807636,0.7572978689);(305.1964136,0.7572978689);(331.1756782,0.6296776413);(333.1913283,0.6296776413);(445.2073723,1.609205825);(447.2230223,1.609205825);(459.2230223,9.24714541);(459.2230223,5.316241651);(461.2022869,0.9812488095);(463.2179369,1.898115365);(465.233587,1.909795681);(477.233587,30.51423543);(479.2128516,1.559893006);(480.1267762,8.86833425)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(27.0234751,1.559718771);(43.01838972,5.63782431);(45.03403978,6.49873493);(57.03403978,2.182968797);(59.01330434,3.449805698);(61.0289544,2.021039208);(69.03403978,1.569695606);(73.0289544,3.299199874);(75.04460446,1.655411047);(85.0289544,1.45908806);(87.00821896,3.24911165);(89.02386902,3.128843742);(91.03951908,1.937942062);(101.023869,3.106046355);(103.0395191,5.360504783);(105.0551691,2.703599264);(113.09664,1.502026378);(127.0759046,1.904313069);(129.0915547,2.106306639);(131.1072047,1.496091887);(145.0500838,6.484962015);(147.0657338,6.899235211);(147.1021193,1.359463943);(163.0606485,12.07221118);(313.1651135,1.725511845);(315.1807636,3.901695547);(317.1964136,2.343071878);(331.1756782,2.741528972);(333.1913283,2.741528972);(459.2230223,2.261271017);(477.233587,1.641247288)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(17.00273965,0.3341395159);(31.01838972,0.3659783278);(41.00273965,0.4013844843);(43.01838972,0.9335817897);(45.03403978,0.5807248901);(56.99765427,2.048108787);(59.01330434,1.451294357);(71.01330434,0.4405809721);(73.0289544,1.747139693);(85.0289544,0.5662599943);(87.00821896,1.803351805);(89.02386902,3.603078237);(91.03951908,0.3935747584);(101.023869,0.5626297471);(103.0395191,3.891033755);(105.0551691,0.3648489295);(119.0344337,0.6256196652);(133.0500838,2.95287541);(135.0657338,0.6189024484);(149.0449984,1.389436354);(151.0606485,0.3290750394);(161.0449984,3.590226255);(177.039913,0.5045605744);(179.0555631,7.514879304);(401.1811575,0.2939270061);(403.1968076,0.2939270061);(405.2124576,0.2939270061);(461.2022869,0.2831932151);(475.2179369,6.147220777);(477.1972015,0.7555701303);(478.1111261,54.91894977)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(17.00273965,0.9208632256);(41.00273965,1.419257474);(43.01838972,4.329307363);(45.03403978,2.429946366);(55.01838972,1.191129981);(56.99765427,0.6157256043);(59.01330434,3.971858107);(71.01330434,3.972534472);(73.0289544,7.058025882);(75.04460446,0.9357682391);(85.0289544,1.384723818);(87.00821896,0.6346641062);(89.02386902,1.50782552);(101.023869,1.67230554);(103.0395191,2.348166212);(117.0551691,0.7348461609);(131.0344337,1.92567745);(133.0500838,4.01927064);(149.0449984,1.130243544);(161.0449984,10.1385575);(177.039913,0.5908406935);(179.0555631,9.121118715);(433.1709867,0.6452540201);(435.1866368,0.6452540201);(437.2022869,0.6452540201);(447.1866368,0.6362230071);(461.2022869,1.317817099);(463.2179369,1.044802798);(475.2179369,7.558516867);(477.1972015,2.207080793);(478.1111261,23.24714076)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(29.00273965,1.511652501);(41.00273965,6.385544894);(43.01838972,16.07708746);(45.03403978,5.882662244);(55.01838972,2.073467834);(56.99765427,3.593710085);(59.01330434,9.464683146);(61.0289544,1.752056925);(71.01330434,4.746050978);(73.0289544,7.815685479);(75.04460446,1.143832728);(85.0289544,0.9263938191);(87.00821896,1.247968229);(89.02386902,4.9852904);(101.023869,1.667495017);(103.0395191,3.02122175);(109.0289544,1.475427038);(125.023869,2.536512203);(129.0551691,0.911088316);(131.0344337,4.116674058);(131.0708192,1.315953393);(133.0500838,1.062450583);(143.0344337,0.8795146018);(147.0293483,2.205903321);(149.0449984,1.066798956);(161.0449984,4.745227444);(179.0555631,1.358183695);(301.1651135,1.833506652);(303.1807636,1.833506652);(331.1756782,0.9536788174);(447.1866368,1.410770787)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(317.06558,46.91);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(319.08123,100.0);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(461.10784,15.02);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37);(479.1184,15.37)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(59.01276,3.44);(103.03897,3.58);(103.03897,3.58);(103.03897,3.58);(103.03897,3.58);(275.05501,3.42);(275.05501,3.42);(275.05501,3.42);(275.05501,3.42);(275.05501,3.42);(275.05501,3.42);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(299.05501,5.01);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(301.07066,13.75);(303.04993,3.41);(315.04993,4.16);(315.04993,4.16);(315.04993,4.16);(315.04993,4.16);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(317.06558,100.0);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(319.08123,92.65);(359.07614,3.15);(407.09727,5.69);(407.09727,5.69);(407.09727,5.69);(419.09727,14.37);(419.09727,14.37);(419.09727,14.37);(419.09727,14.37);(419.09727,14.37);(419.09727,14.37);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(449.10784,3.36);(451.12349,6.41);(451.12349,6.41);(451.12349,6.41);(451.12349,6.41);(451.12349,6.41);(451.12349,6.41);(451.12349,6.41);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(461.10784,32.94);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34);(479.1184,16.34)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(45.03349,36.99);(57.03349,21.13);(61.02841,33.43);(103.03897,21.38);(103.03897,21.38);(103.03897,21.38);(103.03897,21.38);(105.05462,32.41);(105.05462,32.41);(133.04954,20.61);(133.04954,20.61);(135.06519,19.86);(135.06519,19.86);(147.06519,23.72);(147.06519,23.72);(147.06519,23.72);(165.07575,23.05);(165.07575,23.05);(165.07575,23.05);(165.07575,23.05);(165.07575,23.05);(165.07575,23.05);(179.03389,37.08);(179.03389,37.08);(185.02332,24.46);(187.03897,26.29);(193.04954,17.9);(193.04954,17.9);(229.04954,17.55);(233.04445,18.23);(233.04445,18.23);(243.06519,16.23);(257.04445,19.18);(257.04445,19.18);(257.04445,19.18);(257.04445,19.18);(257.04445,19.18);(259.0601,18.23);(259.0601,18.23);(259.0601,18.23);(259.0601,18.23);(259.0601,18.23);(271.0601,16.51);(271.0601,16.51);(271.0601,16.51);(271.0601,16.51);(271.0601,16.51);(273.07575,16.82);(273.07575,16.82);(273.07575,16.82);(273.07575,16.82);(281.04445,22.03);(281.04445,22.03);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(299.05501,41.38);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(301.07066,100.0);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(303.08631,41.49);(315.04993,17.64);(315.04993,17.64);(315.04993,17.64);(315.04993,17.64);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(317.06558,84.01);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(319.08123,40.14);(419.09727,18.77);(419.09727,18.77);(419.09727,18.77);(419.09727,18.77);(419.09727,18.77);(419.09727,18.77);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(461.10784,38.13);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67);(479.1184,20.67)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Petunidin 3-O-glucoside Petunidin 3-O-glucosidehumanplasma, urineunchanged1h-3h<20 nmol/L<1%C22H23O12479.118402601 Detailed Intervention Studies Publications
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