Pelargonidin
precursor
Showing entry for Pelargonidin
Identification
- PhytoHub ID
- PHUB000505
- Name
- Pelargonidin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 271.247
- Monoisotopic Mass
- 271.060099874
- Chemical Formula
- C15H11O5
- IUPAC Name
- 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium
- InChI Key
- XVFMGWDSJLBXDZ-UHFFFAOYSA-O
- InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1
- SMILES
OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O
- Structure
Structure for Pelargonidin
Calculated Properties
- Solubility (ALOGPS)
- 3.10e-02 g/l
- LogS (ALOGPS)
- -4.00
- LogP (ALOGPS)
- 2.94
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 1
- Polar Surface Area
- 94.06000000000002
- Refractivity
- 82.1322
- Polarizability
- 27.16216382617791
- Formal Charge
- 1
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.5801848584759615
- pKa (strongest acidic)
- 6.0316862465563394
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- 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
- Hydroxyflavonoids
- Direct Parent Name
- 7-hydroxyflavonoids
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "Anthocyanidins", "Benzene and substituted derivatives", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic cations", "Oxacyclic compounds", "Polyols"]
- External Descriptor Annotations
- ["Anthocyanidins", "Anthocyanidins and anthocyanins", "anthocyanidin cation"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Anthocyanidin", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Heteroaromatic compound", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic cation", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (104.0256639,2.350318535);(105.0334885,2.57000182);(120.020578,7.436290777);(121.0284026,6.999196081);(122.0362272,2.622877125);(133.0284026,1.2355811);(136.0154921,1.513688336);(148.0154921,2.99985544);(149.0233167,2.801369611);(150.0311413,5.072491979);(151.0389659,2.292555449);(199.0389659,1.131502625);(200.0104062,1.264352755);(200.0467905,1.414372788);(226.0260554,3.198927407);(227.03388,1.074994626);(228.0417046,4.484144574);(229.0495292,2.264582576);(239.03388,1.249405333);(240.0417046,5.34990044);(241.0495292,7.153122558);(242.0529175,1.141385496);(242.0573538,6.919873905);(243.0607448,1.105205393);(252.0417046,3.60509281);(253.0495292,2.676951956);(254.0209695,1.338559011);(255.0287941,1.611361585);(269.0444433,2.581654597);(270.0522679,10.70653125);(271.0556584,1.833852064) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.01550142,2.785645348);(71.03115062,1.938175462);(73.04679982,4.756320698);(97.01041552,1.369372457);(113.0417139,1.929893487);(115.0573631,1.554319196);(177.036628,0.9008349952);(179.0886615,1.38308995);(193.0679264,3.703295248);(265.0710659,0.9442331255);(277.1074502,2.102800079);(281.1023643,1.107716168);(329.1023643,0.9849748344);(351.1262389,1.836149498);(365.1418881,1.140984136);(429.1368022,1.184008645);(457.1681006,1.001018977);(471.1473655,4.894828992);(472.1493741,2.035701374);(473.1477092,0.940950106);(485.1630147,3.80999698);(486.1650616,1.628324554);(486.1708393,4.984171269);(487.1728877,2.130893379);(487.1786639,2.253275642);(488.1713094,0.9822864544);(488.1807138,0.963685786);(542.1790647,1.239394795);(543.1868893,7.416503195);(544.1887519,3.717925415);(545.1871946,1.954595072) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (104.0256639,1.679641538);(105.0334885,2.029868987);(120.020578,4.33160108);(121.0284026,2.883185415);(122.0362272,1.770187126);(133.0284026,0.9655224252);(136.0154921,0.831502016);(148.0154921,1.805375131);(149.0233167,2.727745861);(150.0311413,2.174725858);(151.0389659,1.027708216);(198.0311413,0.9403846981);(199.0389659,0.8387187243);(200.0104062,0.8893229784);(200.0467905,1.264345765);(226.0260554,2.324528659);(227.03388,0.9406661134);(228.0417046,3.932195225);(229.0495292,1.966705136);(239.03388,1.016985019);(240.0417046,4.534553049);(241.0495292,6.926005945);(242.0529175,1.105145713);(242.0573538,6.562739735);(243.0607448,1.048165826);(252.0417046,2.122088351);(253.0495292,1.562952267);(254.0209695,1.089553907);(255.0287941,1.311608451);(270.0522679,9.28683022);(271.0556584,1.590680714) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (93.04,1.28);(147.01,2.86);(176.01,1.16);(199.04,0.97);(225.06,1.66);(241.06,2.42);(269.05,89.65) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (93.04,1.19);(147.01,7.1);(155.05,1.02);(176.01,1.44);(197.07,0.83);(199.04,0.88);(201.06,0.87);(213.06,1.07);(225.06,1.34);(241.05,3.76);(241.08,0.98);(269.05,79.54) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (93.03,0.89);(147.01,9.64);(148.02,2.77);(149.03,1.08);(163.0,0.85);(176.01,3.49);(181.07,2.28);(197.06,0.94);(199.04,1.1);(213.07,0.91);(224.05,0.83);(225.06,2.31);(240.04,0.65);(241.05,8.05);(268.04,0.66);(269.05,63.55) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (93.04,1.06);(121.03,0.52);(145.03,0.75);(147.01,10.97);(148.02,2.22);(149.03,1.41);(157.07,0.79);(163.01,0.72);(169.07,1.08);(173.06,1.13);(176.01,3.62);(181.06,2.2);(197.06,3.11);(199.04,2.19);(201.06,1.34);(213.06,3.15);(224.05,1.2);(225.06,4.54);(239.04,0.49);(241.05,9.55);(269.05,47.99) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (93.04,2.55);(119.02,0.82);(120.02,0.51);(121.03,0.81);(133.03,0.38);(135.01,0.48);(143.05,0.36);(145.03,0.34);(147.01,11.56);(148.02,2.76);(149.03,1.1);(155.05,0.59);(157.07,1.24);(159.05,0.38);(163.01,1.07);(169.07,1.89);(171.05,0.86);(173.06,1.1);(176.01,4.58);(180.06,0.67);(181.07,2.5);(183.04,0.68);(185.06,0.53);(195.05,0.42);(196.05,0.81);(197.06,2.87);(198.03,0.38);(199.04,3.29);(201.06,2.16);(213.06,4.51);(224.05,1.6);(225.06,3.98);(226.02,0.43);(227.02,0.46);(239.05,0.34);(240.04,1.25);(241.05,11.94);(268.04,1.27);(269.05,26.53) | |
| LC-MS/MS | QTOF | negative | low | View Spectrum | (147.01,1.33);(241.06,1.3);(269.05,97.37) | |
| LC-MS/MS | n/a | negative | low | View Spectrum | (135.2,0.43);(147.1,10.49);(148.1,0.36);(149.2,1.82);(157.2,0.45);(163.2,0.48);(169.2,0.83);(173.2,0.46);(175.1,0.58);(176.1,5.44);(180.2,0.6);(181.2,2.66);(183.1,1.35);(197.1,2.94);(199.1,3.92);(201.1,4.76);(207.1,1.11);(213.1,2.08);(224.0,0.83);(225.1,19.25);(227.1,2.13);(240.0,1.55);(241.1,34.88);(251.1,0.59) | |
| LC-MS/MS | n/a | positive | low | View Spectrum | (121.0,1.56);(149.0,12.69);(173.0,0.59);(177.0,0.82);(187.0,0.86);(197.0,0.82);(201.0,1.21);(203.0,0.98);(215.0,27.89);(225.0,1.05);(229.0,1.6);(243.0,10.9);(271.0,39.03) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,1.22);(271.06,98.78) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (65.03,0.91);(93.03,2.09);(121.0,0.8);(121.03,58.97);(139.04,2.61);(167.03,1.67);(201.05,1.83);(247.03,0.7);(271.06,3.17);(289.07,27.26) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (99.04,2.2);(106.95,1.41);(121.02,68.11);(130.04,0.8);(139.04,1.69);(167.04,0.9);(201.98,1.43);(205.06,0.91);(243.05,0.91);(271.06,4.43);(271.97,0.72);(289.06,15.41);(289.63,1.09) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,77.69);(125.02,1.62);(139.04,4.86);(167.03,2.27);(177.05,1.27);(271.06,3.22);(289.06,9.07) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (65.04,1.66);(93.03,1.28);(99.04,3.05);(121.03,66.47);(125.02,1.96);(139.04,7.57);(167.03,2.59);(177.05,1.93);(187.04,1.16);(201.05,3.32);(271.06,2.8);(289.06,5.06);(289.08,1.14) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (93.03,1.95);(99.04,2.63);(121.03,72.52);(125.02,2.95);(139.04,8.13);(167.03,1.73);(177.05,2.23);(201.05,2.96);(205.04,1.07);(271.05,3.0);(289.06,0.83) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,2.14);(271.05,97.86) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,2.82);(197.06,1.06);(271.05,96.13) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,4.47);(169.06,0.99);(197.06,1.39);(215.07,1.09);(271.06,92.06) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (69.0,0.89);(93.03,1.07);(121.03,7.52);(141.07,1.34);(145.06,1.29);(149.02,0.82);(169.06,1.58);(173.06,1.09);(197.06,2.32);(215.07,1.66);(225.05,0.87);(243.06,1.1);(271.06,78.45) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (121.03,11.63);(141.07,2.29);(169.06,2.27);(197.06,3.46);(215.07,2.18);(271.05,78.18) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (93.03,3.3);(121.03,18.41);(141.07,3.75);(145.06,2.57);(169.06,3.46);(197.06,4.88);(215.07,2.73);(271.05,60.89) | |
| LC-MS/MS | QTOF | positive | low | View Spectrum | (65.04,3.21);(69.0,3.03);(93.03,5.43);(115.05,2.02);(121.03,20.22);(141.07,4.59);(145.06,2.15);(169.06,3.22);(197.06,4.31);(271.05,19.76) | |
| LC-MS/MS | n/a | positive | low | View Spectrum | (111.1,0.49);(121.1,3.43);(133.2,0.36);(141.2,0.38);(145.1,1.57);(147.2,0.33);(149.1,14.25);(159.1,0.69);(169.2,1.21);(173.1,3.37);(177.1,1.1);(187.1,1.9);(197.1,3.53);(198.1,0.39);(201.1,2.02);(203.1,1.06);(215.1,31.51);(216.1,0.45);(225.1,3.06);(226.1,0.96);(227.1,0.5);(229.1,1.41);(243.1,14.09);(244.1,0.34);(253.1,2.09);(254.1,0.38);(271.1,8.11);(272.1,1.0) | |
| LC-MS/MS | LC-ESI-QFT | positive | low | View Spectrum | (145.0646,0.82);(149.023,0.76);(169.0646,1.37);(173.0595,3.7);(187.0384,0.83);(187.0751,1.44);(197.0593,7.01);(201.0543,0.76);(215.07,5.49);(225.0544,1.12);(226.0621,0.96);(243.065,2.51);(271.0598,100.0) | |
| LC-MS/MS | LC-ESI-IT | positive | low | View Spectrum | (116.9708,1.53);(120.943,14.13);(141.225,13.05);(144.9738,24.83);(149.0426,11.55);(169.0037,10.65);(173.0457,27.55);(187.0425,14.71);(197.1073,28.48);(215.1617,24.31);(225.0758,26.0);(243.1483,18.27);(253.1362,10.13);(271.111,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (57.03403978,0.1426500325);(59.04968984,0.1958815829);(61.06533991,0.0565985827);(99.08098997,0.1296034561);(101.09664,0.1295729358);(127.0759046,0.0642490393);(129.0915547,0.0642795625);(131.1072047,0.0640672745);(143.0708192,0.0379090655);(145.0864693,0.0379188497);(147.1021193,0.0379188497);(187.097034,0.0836447331);(189.112684,0.0836447331);(197.1177694,0.0500606863);(199.1334195,0.0500606863);(201.1490695,0.0500606863);(227.1283341,0.0713622906);(229.1439842,0.0713622906);(231.1596342,0.0380376061);(241.1439842,0.1219911327);(243.1596342,0.122017841);(245.1752843,0.122017841);(255.1596342,0.1273365372);(257.1388988,0.0633270099);(257.1752843,0.1274283548);(259.1545488,0.0633270099);(261.1701989,0.0633270099);(269.1752843,4.25922424);(269.1752843,0.1340645068);(271.1545488,0.3010413834);(272.0684735,93.03601419) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (85.06533991,0.1487932115);(87.04460446,0.2965181547);(99.08098997,0.3621686047);(101.09664,0.3606910453);(111.08099,0.1377348216);(113.09664,0.1378628773);(127.0759046,0.5886006369);(129.0915547,0.6388596888);(131.1072047,0.6368795118);(215.1283341,0.1323019036);(217.1439842,0.1323019036);(227.1283341,0.321762104);(229.1439842,0.321762104);(231.1596342,0.1414263999);(237.1490695,0.9854835709);(239.1283341,0.1478733327);(239.1647196,0.9897827053);(241.1439842,1.174661198);(243.1596342,1.039487869);(245.1752843,1.039487869);(251.1647196,0.9275521424);(253.1439842,0.1695580276);(255.1596342,10.35101215);(257.1388988,0.1864460018);(257.1752843,10.44732646);(259.1545488,0.1864460018);(261.1701989,0.1864460018);(269.1752843,16.1205387);(269.1752843,0.3218972846);(271.1545488,1.869820653);(272.0684735,49.49851706) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (51.0234751,1.333170712);(69.03403978,5.115912736);(95.04968984,2.415741555);(99.08098997,1.613852003);(109.0653399,3.791610409);(111.0446045,1.523038593);(111.08099,5.932964255);(113.0602545,1.343163041);(113.09664,6.752829892);(115.0759046,1.460525887);(115.1122901,2.871703656);(123.0446045,2.18101605);(125.0602545,2.138071299);(127.0759046,5.77851198);(129.0915547,6.114777331);(131.1072047,4.649705271);(143.0708192,2.205528695);(145.0864693,2.500835122);(147.1021193,2.500835122);(197.1177694,1.74136566);(199.1334195,1.74136566);(201.1490695,1.74136566);(227.1283341,1.668999227);(229.1439842,1.668999227);(241.1439842,2.58967507);(243.1596342,3.373598617);(245.1752843,3.373598617);(251.1647196,9.00077613);(257.1752843,2.204198828);(269.1752843,7.047881723);(271.1545488,1.624381971) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (41.00273965,0.0741347309);(43.01838972,0.0242434316);(71.01330434,0.016942226);(99.08098997,0.0218191642);(111.0446045,0.0255792732);(127.0759046,0.0479842194);(129.0915547,0.0479842194);(141.0551691,0.0500119004);(143.0708192,0.1555339997);(145.0864693,0.1556399453);(155.0708192,0.0132156097);(157.0864693,0.0132156097);(159.1021193,0.0136913928);(169.0864693,0.0402551051);(171.1021193,0.0405720849);(173.1177694,0.0405720849);(185.0813839,0.0476366216);(187.097034,0.047637324);(209.1177694,0.0121071288);(239.1283341,0.0782429659);(241.1439842,0.0782649001);(243.1596342,0.078614667);(253.1439842,0.1149961593);(255.1232487,0.0253237263);(255.1596342,0.1149983573);(257.1388988,0.0253233529);(259.1545488,0.0253237263);(267.1596342,2.421008173);(267.1596342,0.1093813796);(269.1388988,0.1699275175);(270.0528234,95.869819) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.2226810089);(41.00273965,0.0883351445);(43.01838972,0.18876343);(71.01330434,0.1221204611);(111.0446045,0.4020728661);(127.0759046,0.0797660878);(129.0915547,0.0797660878);(139.0759046,0.0973039621);(141.0915547,0.1003762569);(143.1072047,0.1003762569);(145.0864693,0.0780939394);(153.0915547,0.1279075772);(155.1072047,0.1318313974);(157.1228548,0.1318313974);(185.0813839,0.345812077);(187.097034,0.3464997087);(209.1177694,0.1554044252);(211.1334195,0.1554044252);(213.1490695,0.1554044252);(239.1283341,0.9048908005);(241.1439842,0.9214874985);(243.1596342,0.9345357828);(253.1439842,0.9598436295);(255.1232487,0.4581382745);(255.1596342,0.9603371854);(257.1388988,0.4572290951);(259.1545488,0.4581382745);(267.1596342,5.665944758);(267.1596342,0.219175954);(269.1388988,0.7837114125);(270.0528234,84.1668164) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,3.885917214);(43.01838972,2.891892836);(59.04968984,2.741620721);(67.01838972,3.803379042);(83.01330434,4.345082433);(85.0289544,1.44902851);(87.04460446,1.687065192);(93.03403978,3.400125491);(99.04460446,2.200831469);(109.0289544,1.635934389);(111.0446045,2.801257189);(113.0602545,2.372867663);(115.0759046,1.97744897);(125.023869,5.467294188);(127.0395191,1.41902362);(127.0759046,1.562876773);(129.0551691,10.38760809);(129.0915547,1.562876773);(131.0708192,10.58257182);(141.0551691,1.314598383);(145.0864693,1.606199643);(155.1072047,1.71031914);(157.1228548,1.71031914);(209.1177694,1.314020457);(239.1283341,3.689269013);(241.1439842,3.950074657);(243.1596342,6.671980819);(253.1439842,1.83076731);(255.1596342,2.370357356);(267.1596342,3.818737943);(270.0528234,3.838653751) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(253.04954,11.47);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(243.06519,12.92);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(253.04954,4.52);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (68.99711,25.54);(105.03349,74.34);(105.03349,74.34);(105.03349,74.34);(105.03349,74.34);(121.02841,29.64);(121.02841,29.64);(121.02841,29.64);(121.02841,29.64);(121.02841,29.64);(121.02841,29.64);(123.04406,29.53);(123.04406,29.53);(123.04406,29.53);(123.04406,29.53);(137.02332,66.98);(137.02332,66.98);(137.02332,66.98);(137.02332,66.98);(199.03897,66.73);(199.03897,66.73);(199.03897,66.73);(199.03897,66.73);(201.05462,100.0);(201.05462,100.0);(201.05462,100.0);(201.05462,100.0);(201.05462,100.0);(203.07027,35.11);(203.07027,35.11);(203.07027,35.11);(203.07027,35.11);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(225.05462,70.68);(227.03389,24.19);(227.03389,24.19);(227.03389,24.19);(227.03389,24.19);(229.04954,43.31);(229.04954,43.31);(229.04954,43.31);(229.04954,43.31);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(241.04954,29.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(243.06519,94.49);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(253.04954,44.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85);(271.0601,20.85) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Acerola | Fruit, Tropical fruits | Publications | Show | |
| Strawberry | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pelargonidin | Pelargonidin | human | plasma, urine | unchanged | No data | No data | <1% | C15H11O5 | 271.060099874 | Detailed Intervention Studies | Publications | ||
| Pelargonidin | 3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O10 | 330.058696651 | Publications | |||
| Pelargonidin | 4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O10 | 330.058696651 | Publications | |||
| Pelargonidin | 4-(1-Carboxyphenyl)beta-D-glucuronic acid | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C13H14O9 | 314.063782031 | Publications | |||
| Pelargonidin | Pelargonidin glucuronide | human | plasma, urine | host metabolism | 1h-3h | 50-200 nmol/L | <1% | C22H21O11 | 461.4026627 | Detailed Intervention Studies | Publications | ||
| Pelargonidin | Pelargonidin sulfate | human | plasma | host metabolism | 1h-3h | 50-200 nmol/L | Not Available | C15H11O8S | 351.3121191 | Detailed Intervention Studies | Publications |