PhytoHub: Showing entry for 3',4',7-Trihydroxyisoflavanone

3',4',7-Trihydroxyisoflavanone

Identification

PhytoHub ID

PHUB001772

Name

3',4',7-Trihydroxyisoflavanone

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

270.24

Monoisotopic Mass

270.052823422

Chemical Formula

C₁₅H₁₀O₅

IUPAC Name

3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one

InChI Key

DDKGKOOLFLYZDL-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H

SMILES

OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.06e-01 g/l
LogS (ALOGPS): -3.41
LogP (ALOGPS): 3.05
Hydrogen Acceptors: 5
Hydrogen Donors: 3
Rotatable Bond Count: 1
Polar Surface Area: 86.99000000000001
Refractivity: 71.68290000000002
Polarizability: 26.667569831936063
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -5.33620244110205
pKa (strongest acidic): 6.4751111499991385
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Isoflavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Isoflavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Isoflav-2-enes
Direct Parent Name: Isoflavones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Catechols", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives"]
External Descriptor Annotations: ["7-hydroxyisoflavones", "Isoflavonoids", "isoflavones"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(94.04131312,2.216859328);(95.04913772,0.9831719467);(108.020578,1.019892866);(109.0284026,0.8669265669);(110.0362272,0.9591831288);(120.020578,2.091638904);(121.0284026,2.372032073);(122.0362272,2.140724837);(123.0440518,1.243623745);(133.0284026,0.9567007271);(134.0362272,1.831510536);(135.0440518,1.346060621);(136.0154921,1.009591927);(148.0154921,0.9667463732);(149.0233167,1.092325709);(213.0546151,0.8241204156);(226.0260554,1.715521015);(228.0417046,1.254605391);(238.0260554,0.9493489383);(239.03388,1.102771874);(240.0417046,6.984075429);(241.0450901,1.113363782);(241.0495292,5.945972172);(242.0209695,0.9939321847);(242.0529175,0.9487669673);(242.0573538,11.73133505);(243.0607448,1.873666334);(252.0417046,2.461472705);(253.0495292,2.437510174);(255.0287941,0.8327841663);(270.0522679,4.478046586)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,9.031529874);(164.0651877,0.8604210749);(165.0730123,1.656886541);(192.0601018,0.927347247);(193.0679264,2.13266265);(209.0628405,1.946185021);(263.091801,1.632274403);(277.0710659,1.162464453);(278.1152748,1.022043189);(279.0867151,2.107688195);(279.1230994,1.689673705);(293.1023643,0.9970504944);(295.1180135,1.806466351);(384.1207522,1.177775781);(385.1285768,2.988289267);(386.1308084,0.9873220407);(399.1078417,2.238506488);(412.1156663,0.9131116385);(413.1234909,3.587495648);(414.1257615,1.22680117);(414.1313155,3.029926332);(415.1335879,1.036586035);(415.1391401,1.764471175);(443.1524514,3.077425175);(444.1544207,1.244262484);(458.1759252,2.787236612);(459.1779365,1.159388178);(470.1395409,0.9423580352);(471.1473655,5.25114681);(472.1493741,2.183889732);(473.1477092,1.009446327)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(94.04131312,2.37999956);(96.05696232,0.8288554787);(108.020578,1.02624275);(109.0284026,0.8723240787);(120.020578,2.980099835);(121.0284026,2.590489855);(122.0362272,2.812923176);(123.0440518,1.413376333);(133.0284026,0.9765520894);(134.0362272,2.291927356);(135.0440518,1.655376119);(136.0154921,0.8205775822);(149.0233167,0.8480759457);(150.0311413,0.8528876787);(213.0546151,0.9757453423);(226.0260554,1.543764301);(228.0417046,1.162825172);(238.0260554,0.9552596144);(239.03388,1.109637766);(240.0417046,7.027558501);(241.0450901,1.120295619);(241.0495292,6.331993204);(242.0529175,1.010362278);(242.0573538,12.07797918);(243.0607448,1.929030487);(252.0417046,2.064914133);(253.0495292,2.319526356);(254.0209695,0.7887061657);(255.0287941,0.8758178538);(270.0522679,4.525071987);(271.0556584,0.7750701337)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(119.0129,583.0);(135.0076,809.0);(195.0415,412.0);(211.0394,699.0);(213.0536,405.0);(223.0396,491.0);(224.0496,412.0);(225.052,376.0);(226.0213,353.0);(239.033,999.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(235.9259,17.0);(239.034,19.0);(242.9433,11.0);(248.9591,10.0);(267.0295,999.0);(268.0328,129.0);(269.0452,891.0);(270.0486,112.0);(271.0518,17.0);(283.0246,12.0);(285.0406,24.0);(337.0335,25.0);(535.0663,34.0);(536.0679,13.0);(537.0804,14.0);(539.0949,20.0);(666.0178,15.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(133.0284,73.0);(135.0074,152.0);(211.0385,128.0);(213.0541,177.0);(223.0389,69.0);(224.0458,69.0);(225.057,89.0);(226.0259,141.0);(239.0335,999.0);(240.0397,198.0);(241.0497,397.0);(242.0522,69.0);(252.0428,76.0);(268.0355,89.0);(269.0458,520.0);(270.0461,87.0);(294.1682,56.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(213.0526,16.0);(223.0407,27.0);(225.0521,27.0);(226.0265,20.0);(239.0337,714.0);(240.0381,111.0);(241.0507,99.0);(242.056,25.0);(267.028,84.0);(269.0449,999.0);(270.0488,112.0);(271.0531,18.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(239.0345,116.0);(240.0371,41.0);(267.0294,477.0);(268.0334,76.0);(269.0451,999.0);(270.0483,150.0);(271.0494,21.0)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(119.0129,58.358358);(135.0076,80.980981);(195.0415,41.241241);(211.0394,69.96997);(213.0536,40.540541);(223.0396,49.149149);(224.0496,41.241241);(225.052,37.637638);(226.0213,35.335335);(239.033,100.0)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(133.0284,7.307307);(135.0074,15.215215);(211.0385,12.812813);(213.0541,17.717718);(223.0389,6.906907);(224.0458,6.906907);(225.057,8.908909);(226.0259,14.114114);(239.0335,100.0);(240.0397,19.81982);(241.0497,39.73974);(242.0522,6.906907);(252.0428,7.607608);(268.0355,8.908909);(269.0458,52.052052);(270.0461,8.708709);(294.1682,5.605606)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(213.0526,1.601602);(223.0407,2.702703);(225.0521,2.702703);(226.0265,2.002002);(239.0337,71.471471);(240.0381,11.111111);(241.0507,9.90991);(242.056,2.502503);(267.028,8.408408);(269.0449,100.0);(270.0488,11.211211);(271.0531,1.801802)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(239.0345,11.611612);(240.0371,4.104104);(267.0294,47.747748);(268.0334,7.607608);(269.0451,100.0);(270.0483,15.015015);(271.0494,2.102102)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(137.0236,0.9410548087);(161.0236,0.9100310238);(181.0649,1.287487073);(187.0754,0.4446742503);(189.0548,0.2637021717);(197.0598,0.9462254395);(201.0548,0.8583247156);(209.0599,0.4963805584);(215.0704,12.1302999);(225.0548,12.23371251);(229.0497,0.2326783868);(243.0657,5.434332989);(253.0502,12.114788);(271.0603,51.70630817)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(137.082,19.59669992);(148.9969,0.7329165768);(161.105,3.296164926);(181.0763,3.556801035);(187.1646,1.350212624);(188.8408,0.703521527);(197.1216,2.663191519);(201.1352,2.30261224);(209.1655,1.073899155);(215.0511,18.46009132);(225.101,18.22885026);(243.0563,7.413431578);(253.079,14.53095299);(271.0464,6.090654334)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(98.72963,1.6);(106.03648,1.4);(107.05609,2.3);(109.03381,1.6);(115.05209,3.2);(131.05081,2.9);(134.03152,2.3);(137.02014,4.6);(141.0692,1.7);(147.03836,1.2);(151.04881,2.0);(152.0563,3.4);(156.03966,1.2);(157.05411,1.4);(159.07643,1.2);(161.0231,1.5);(162.03244,1.4);(169.06949,1.6);(173.06018,1.3);(184.05101,1.3);(187.03885,1.6);(197.05861,5.41);(198.03624,1.9);(215.07149,5.01);(216.08324,2.7);(220.10858,1.3);(224.04234,1.2);(225.02373,1.3);(226.05176,1.6);(227.06355,1.4);(253.06081,1.2);(254.05699,4.4);(269.05026,1.8);(271.06104,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.0526,1.6);(223.0407,2.7);(225.0521,2.7);(226.0265,2.0);(239.0337,71.47);(240.0381,11.11);(241.0507,9.91);(242.056,2.5);(267.028,8.41);(269.0449,100.0);(270.0488,11.21);(271.0531,1.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(98.72963,1.58);(106.03648,1.44);(107.05609,2.27);(109.03381,1.58);(115.05209,3.23);(131.05081,2.89);(134.03152,2.27);(137.02014,4.6);(141.0692,1.72);(147.03836,1.17);(151.04881,1.99);(152.0563,3.44);(156.03966,1.24);(157.05411,1.37);(159.07643,1.17);(161.0231,1.51);(162.03244,1.37);(169.06949,1.58);(173.06018,1.31);(184.05101,1.31);(187.03885,1.58);(197.05861,5.43);(198.03624,1.92);(215.07149,5.02);(216.08324,2.68);(220.10858,1.31);(224.04234,1.17);(225.02373,1.31);(226.05176,1.65);(227.06355,1.44);(253.06081,1.24);(254.05699,4.4);(269.05026,1.79);(271.06104,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(239.0345,11.61);(240.0371,4.1);(267.0294,47.75);(268.0334,7.61);(269.0451,100.0);(270.0483,15.02);(271.0494,2.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.0129,58.36);(135.0076,80.98);(195.0415,41.24);(211.0394,69.97);(213.0536,40.54);(223.0396,49.15);(224.0496,41.24);(225.052,37.64);(226.0213,35.34);(239.033,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(133.0284,7.31);(135.0074,15.22);(211.0385,12.81);(213.0541,17.72);(223.0389,6.91);(224.0458,6.91);(225.057,8.91);(226.0259,14.11);(239.0335,100.0);(240.0397,19.82);(241.0497,39.74);(242.0522,6.91);(252.0428,7.61);(268.0355,8.91);(269.0458,52.05);(270.0461,8.71);(294.1682,5.61)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(239.0345,0.11611612);(240.0371,0.04104104);(267.0294,0.47747748);(268.0334,0.07607608);(269.0451,1.0);(270.0483,0.15015015);(271.0494,0.02102102)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(213.0526,0.01601602);(223.0407,0.02702703);(225.0521,0.02702703);(226.0265,0.02002002);(239.0337,0.71471471);(240.0381,0.11111111);(241.0507,0.0990991);(242.056,0.02502503);(267.028,0.08408408);(269.0449,1.0);(270.0488,0.11211211);(271.0531,0.01801802)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(119.0129,0.58358358);(135.0076,0.80980981);(195.0415,0.41241241);(211.0394,0.6996997);(213.0536,0.40540541);(223.0396,0.49149149);(224.0496,0.41241241);(225.052,0.37637638);(226.0213,0.35335335);(239.033,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(133.0284,0.07307307);(135.0074,0.15215215);(211.0385,0.12812813);(213.0541,0.17717718);(223.0389,0.06906907);(224.0458,0.06906907);(225.057,0.08908909);(226.0259,0.14114114);(239.0335,1.0);(240.0397,0.1981982);(241.0497,0.3973974);(242.0522,0.06906907);(252.0428,0.07607608);(268.0355,0.08908909);(269.0458,0.52052052);(270.0461,0.08708709)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(98.72963,0.01601602);(106.03648,0.01401401);(107.05609,0.02302302);(109.03381,0.01601602);(115.05209,0.03203203);(131.05081,0.02902903);(134.03152,0.02302302);(137.02014,0.04604605);(137.02885,0.03003003);(141.06102,0.01401401);(141.0692,0.01701702);(147.03836,0.01201201);(151.04881,0.02002002);(152.0563,0.03403403);(156.03966,0.01201201);(157.05411,0.01401401);(159.07643,0.01201201);(159.09198,0.01201201);(160.99968,0.01201201);(161.0231,0.01501502);(162.03244,0.01401401);(169.06949,0.01601602);(173.06018,0.01301301);(184.05101,0.01301301);(187.03885,0.01601602);(197.05861,0.05405405);(197.07985,0.01601602);(198.03624,0.01901902);(215.06189,0.02702703);(215.07149,0.05005005);(215.07985,0.01201201);(216.08324,0.02702703);(220.10858,0.01301301);(224.04234,0.01201201);(225.02373,0.01301301);(225.04811,0.01201201);(225.06665,0.01201201);(226.05176,0.01601602);(227.06355,0.01401401);(253.06081,0.01201201);(254.05699,0.04404404);(269.05026,0.01801802);(271.06104,1.0);(271.08591,0.02002002)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	high	View Spectrum	(119.013,0.584);(135.008,0.81);(195.042,0.412);(211.039,0.7);(213.054,0.405);(223.04,0.491);(224.05,0.412);(225.052,0.376);(226.021,0.353);(239.033,1.0)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	medium	View Spectrum	(133.028,0.073);(135.007,0.152);(211.038,0.128);(213.054,0.177);(223.039,0.069);(224.046,0.069);(225.057,0.089);(226.026,0.141);(239.034,1.0);(240.04,0.198);(241.05,0.397);(242.052,0.069);(252.043,0.076);(268.036,0.089);(269.046,0.521);(270.046,0.087)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	medium	View Spectrum	(213.053,0.016);(223.041,0.027);(225.052,0.027);(226.026,0.02);(239.034,0.715);(240.038,0.111);(241.051,0.099);(242.056,0.025);(267.028,0.084);(269.045,1.0);(270.049,0.112);(271.053,0.018)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	low	View Spectrum	(239.034,0.116);(240.037,0.041);(267.029,0.477);(268.033,0.076);(269.045,1.0);(270.048,0.15);(271.049,0.021)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(98.73,0.016);(106.036,0.014);(107.056,0.023);(109.034,0.016);(115.052,0.032);(131.051,0.029);(134.032,0.023);(137.02,0.046);(137.029,0.03);(141.061,0.014);(141.069,0.017);(147.038,0.012);(151.049,0.02);(152.056,0.034);(156.04,0.012);(157.054,0.014);(159.076,0.012);(159.092,0.012);(161.0,0.012);(161.023,0.015);(162.032,0.014);(169.069,0.016);(173.06,0.013);(184.051,0.013);(187.039,0.016);(197.059,0.054);(197.08,0.016);(198.036,0.019);(215.062,0.027);(215.071,0.05);(215.08,0.012);(216.083,0.027);(220.109,0.013);(224.042,0.012);(225.024,0.013);(225.048,0.012);(225.067,0.012);(226.052,0.016);(227.064,0.014);(253.061,0.012);(254.057,0.044);(269.05,0.018);(271.061,1.0);(271.086,0.02)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(109.0284058,8.310106916);(131.0127558,0.6419057403);(241.0495352,0.7616228023);(243.0651853,1.656631477);(253.0495352,12.92976571);(271.0600999,69.77567088)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(77.00219107,2.073497144);(79.01784114,1.851289648);(81.0334912,1.467379026);(109.0284058,11.66629475);(213.0546206,1.70089642);(215.0702706,1.616388917);(225.0546206,2.006902305);(227.0338851,1.552174707);(229.0495352,1.482910736);(241.0495352,6.340448359);(243.0651853,9.47340539);(253.0495352,10.76563313);(271.0600999,28.36541896)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02292652,0.8771289338);(49.00727645,7.334563089);(51.02292652,4.208949739);(53.03857658,1.714813158);(65.03857658,1.298749869);(67.01784114,1.276047528);(75.02292652,4.352576658);(77.00219107,3.378245841);(79.01784114,1.998639403);(81.0334912,1.827331266);(93.0334912,1.615329548);(109.0284058,5.671169402);(121.0284058,6.178661283);(123.0440559,1.341467518);(131.0127558,10.01828461);(133.0284058,1.449855759);(137.0233204,1.594535215);(149.0233204,1.018223342);(169.0284058,0.9829310084);(185.0233204,1.997560481);(195.0440559,2.267095231);(197.0597059,1.613981308);(211.0389705,1.802049491);(213.0546206,0.9476577596);(223.0389705,1.855426785);(225.0546206,3.533680997);(227.0338851,1.458096709);(229.0495352,1.714034695);(243.0651853,1.2558666);(253.0495352,2.822493855);(255.0287997,1.108506419)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(161.0244176,2.869333052);(227.0349823,0.4653512921);(239.0349823,0.4179894918);(241.0506323,2.03180344);(251.0349823,3.738885218);(269.045547,88.39171096)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(161.0244176,21.40542949);(213.0557177,2.037378928);(227.0349823,2.827397655);(241.0506323,13.10492094);(251.0349823,3.222214869);(269.045547,46.15645853)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00328823,3.302721165);(93.03458836,7.026376769);(107.0138529,1.397816909);(109.029503,3.465894387);(121.029503,7.396323399);(133.029503,4.977434297);(147.0087675,2.31607718);(161.0244176,8.717549941);(173.0244176,1.976507335);(187.0400677,1.866520219);(199.0400677,4.142516834);(211.0400677,4.67379192);(213.0557177,5.532501357);(215.0349823,1.539386027);(223.0400677,1.752069149);(225.0193322,1.551184378);(239.0349823,2.264213067);(241.0506323,14.10016753);(251.0349823,2.369288525)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(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);(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	(163.03897,6.08);(163.03897,6.08);(163.03897,6.08);(163.03897,6.08);(163.03897,6.08);(163.03897,6.08);(213.05462,4.41);(213.05462,4.41);(213.05462,4.41);(213.05462,4.41);(213.05462,4.41);(213.05462,4.41);(213.05462,4.41);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(225.05462,6.37);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(243.06519,10.27);(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);(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	(95.04914,45.55);(95.04914,45.55);(95.04914,45.55);(95.04914,45.55);(95.04914,45.55);(111.04406,15.24);(121.02841,36.1);(121.02841,36.1);(121.02841,36.1);(121.02841,36.1);(121.02841,36.1);(123.04406,16.72);(123.04406,16.72);(123.04406,16.72);(123.04406,16.72);(123.04406,16.72);(123.04406,16.72);(123.04406,16.72);(131.01276,24.55);(133.02841,45.36);(133.02841,45.36);(133.02841,45.36);(135.04406,34.89);(135.04406,34.89);(135.04406,34.89);(135.04406,34.89);(135.04406,34.89);(135.04406,34.89);(137.02332,21.43);(137.02332,21.43);(137.02332,21.43);(137.02332,21.43);(175.03897,19.82);(175.03897,19.82);(185.02332,17.95);(185.05971,20.47);(185.05971,20.47);(185.05971,20.47);(199.03897,28.84);(199.03897,28.84);(199.03897,28.84);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(201.05462,49.99);(203.03389,21.45);(211.03897,35.73);(211.03897,35.73);(211.03897,35.73);(211.03897,35.73);(211.03897,35.73);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(215.07027,31.49);(225.01824,23.41);(225.01824,23.41);(225.01824,23.41);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(225.05462,74.97);(227.03389,24.16);(227.03389,24.16);(227.03389,24.16);(227.03389,24.16);(227.03389,24.16);(227.03389,24.16);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(229.04954,31.07);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(241.04954,64.22);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96);(243.06519,42.96)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(185.02442,5.67);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(199.04007,5.62);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(211.04007,8.66);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(213.05572,9.63);(225.01933,7.63);(225.01933,7.63);(225.01933,7.63);(225.01933,7.63);(225.01933,7.63);(225.01933,7.63);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(227.03498,6.14);(239.03498,5.46);(239.03498,5.46);(239.03498,5.46);(239.03498,5.46);(239.03498,5.46);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(241.05063,21.35);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,17.1);(93.03459,50.43);(93.03459,50.43);(93.03459,50.43);(93.03459,50.43);(121.0295,29.83);(121.0295,29.83);(121.0295,29.83);(121.0295,29.83);(131.01385,21.68);(131.01385,21.68);(133.0295,59.26);(133.0295,59.26);(133.0295,59.26);(133.0295,59.26);(133.0295,59.26);(133.0295,59.26);(133.0295,59.26);(143.01385,17.47);(147.00877,63.54);(147.00877,63.54);(149.02442,12.23);(157.0295,16.9);(157.0295,16.9);(169.0295,13.93);(171.04515,14.14);(171.04515,14.14);(171.04515,14.14);(171.04515,14.14);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(185.02442,100.0);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(187.04007,34.99);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(189.05572,22.38);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(199.04007,31.26);(201.01933,23.42);(201.01933,23.42);(201.01933,23.42);(201.01933,23.42);(201.01933,23.42);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(211.04007,28.46);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(213.05572,14.1);(215.03498,28.1);(215.03498,28.1);(215.03498,28.1);(215.03498,28.1);(215.03498,28.1);(215.03498,28.1);(215.03498,28.1);(225.01933,71.34);(225.01933,71.34);(225.01933,71.34);(225.01933,71.34);(225.01933,71.34);(225.01933,71.34);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(227.03498,30.97);(239.03498,51.24);(239.03498,51.24);(239.03498,51.24);(239.03498,51.24);(239.03498,51.24);(241.01425,20.93);(241.01425,20.93);(241.01425,20.93);(241.01425,20.93);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45);(241.05063,20.45)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

Back

Showing entry for 3',4',7-Trihydroxyisoflavanone

Identification

Structure for 3',4',7-Trihydroxyisoflavanone

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism