precursor

Showing entry for Genistin

Identification

PhytoHub ID
PHUB000226
Name
Genistin
Systematic Name
Not Available
Synonyms
  • 5,7,4'-Trihydroxyisoflavone 7-O-glucoside
  • Genistein 7-O-glucoside
CAS Number
Not Available
Average Mass
432.381
Monoisotopic Mass
432.105646844
Chemical Formula
C21H20O10
IUPAC Name
5-hydroxy-3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
InChI Key
ZCOLJUOHXJRHDI-CMWLGVBASA-N
InChI Identifier
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.01e+00 g/l
LogS (ALOGPS)
-2.63
LogP (ALOGPS)
0.68
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
4
Polar Surface Area
166.14000000000001
Refractivity
103.82730000000002
Polarizability
42.05922629610282
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.981092343758667
pKa (strongest acidic)
7.2729960770884
Number of Rings
4
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

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
Isoflavonoid O-glycosides
Direct Parent Name
Isoflavonoid O-glycosides
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Acetals", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Isoflavones", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Pyranones and derivatives", "Secondary alcohols", "Vinylogous acids"]
External Descriptor Annotations
["Isoflavonoids", "beta-D-glucoside", "isoflavones"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Acetal", "Alcohol", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Isoflavonoid o-glycoside", "Isoflavonoid-7-o-glycoside", "Monocyclic benzene moiety", "Monosaccharide", "O-glycosyl compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenolic glycoside", "Polyol", "Primary alcohol", "Pyran", "Pyranone", "Secondary alcohol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(268.0303,0.00700701);(269.0451,0.74574575);(270.0486,0.1011011);(271.0523,0.00800801);(283.0616,0.00700701);(311.0573,0.03003003);(312.0538,0.00800801);(335.0507,0.00700701);(431.0989,1.0);(432.1011,0.20820821);(433.1082,0.01501502)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(132.0202,0.06406406);(133.0272,0.02902903);(135.0078,0.01701702);(155.0522,0.01301301);(159.0444,0.01301301);(181.0639,0.01601602);(183.0461,0.01301301);(195.0393,0.01801802);(196.0527,0.03203203);(201.0533,0.01801802);(211.0393,0.08008008);(212.0479,0.02002002);(213.0499,0.01701702);(223.0399,0.06506507);(224.0477,0.08208208);(225.0553,0.06806807);(226.0289,0.05405405);(227.0311,0.01901902);(239.0358,0.37937938);(240.0414,0.20920921);(241.0462,0.05205205);(267.0286,0.37437437);(268.0376,1.0);(269.0433,0.74074074);(270.0476,0.1001001);(281.045,0.01201201)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(224.0436,0.00600601);(226.032,0.00700701);(239.035,0.01301301);(240.0394,0.01201201);(241.044,0.00700701);(253.0505,0.00600601);(267.0311,0.02002002);(268.0376,1.0);(269.0445,0.75675676);(270.049,0.12712713);(271.0505,0.01101101);(282.0507,0.00500501);(311.0565,0.00900901);(431.097,0.14414414);(432.0974,0.03103103)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(239.0348,0.00900901);(253.0554,0.01101101);(268.0376,0.39039039);(269.0451,1.0);(270.0479,0.13313313);(271.0514,0.01201201);(283.0611,0.01601602);(311.0559,0.03403403);(431.0985,0.96996997);(431.1611,0.00700701);(432.1024,0.2042042);(433.1074,0.01501502)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(132.0223,0.00900901);(135.0099,0.00800801);(197.0602,0.00500501);(211.0369,0.01001001);(212.0455,0.00600601);(223.0371,0.01701702);(224.0456,0.03503504);(225.0543,0.01301301);(226.0251,0.01101101);(227.0325,0.01001001);(237.0585,0.00600601);(239.0352,0.1041041);(240.042,0.06106106);(241.0459,0.00800801);(253.0499,0.00600601);(267.0287,0.10510511);(268.0379,1.0);(269.045,0.65265265);(270.0473,0.0980981);(431.099,0.00800801)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(133.029,0.03803804);(224.0473,0.05005005);(239.0345,0.1011011);(240.0419,0.05105105);(267.0294,0.12812813);(268.037,0.51151151);(269.0445,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(63.0238,0.02502503);(65.0031,0.01901902);(91.0187,0.03303303);(107.0136,0.04904905);(132.0215,0.1021021);(133.0292,0.17517518);(135.0085,0.04204204);(135.0449,0.04104104);(157.0293,0.03203203);(159.0449,0.08608609);(180.0579,0.05905906);(181.0656,0.07007007);(183.0449,0.08008008);(195.0449,0.07107107);(196.0526,0.06206206);(201.0555,0.06406406);(211.0398,0.2022022);(212.0467,0.05205205);(223.0399,0.09309309);(224.0475,0.12512513);(225.0552,0.05505506);(239.0348,0.32732733);(240.0419,0.12812813);(267.0297,0.36736737);(268.0373,0.5005005);(269.045,1.0)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(68.997,0.03303303);(91.0542,0.13813814);(119.0491,0.04704705);(121.0284,0.03203203);(131.0492,0.02702703);(141.0699,0.05805806);(145.0285,0.07007007);(149.0234,0.12812813);(153.0182,0.41941942);(159.0441,0.05805806);(165.0184,0.04904905);(169.0649,0.08908909);(197.0599,0.11211211);(215.0705,0.35535536);(243.0655,0.23823824);(253.0501,0.13513514);(271.0603,1.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(268.0372,0.05805806);(269.0443,0.96796797);(431.0966,1.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(268.0368,0.38038038);(269.0442,1.0);(431.097,0.35435435)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(91.0542,0.15015015);(145.0285,0.18518519);(149.0234,0.32332332);(153.0182,0.93493493);(215.0705,1.0);(243.0656,0.77077077);(253.0501,0.36436436)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(239.035,0.013);(240.039,0.012);(267.031,0.02);(268.038,1.0);(269.044,0.757);(270.049,0.127);(271.05,0.011);(431.097,0.144);(432.097,0.031)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(132.02,0.064);(133.027,0.029);(135.008,0.017);(155.052,0.013);(159.044,0.013);(181.064,0.016);(183.046,0.013);(195.039,0.018);(196.053,0.032);(201.053,0.018);(211.039,0.08);(212.048,0.02);(213.05,0.017);(223.04,0.065);(224.048,0.082);(225.055,0.068);(226.029,0.054);(227.031,0.019);(239.036,0.379);(240.041,0.209);(241.046,0.052);(267.029,0.374);(268.038,1.0);(269.043,0.741);(270.048,0.1);(281.045,0.012)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(211.037,0.01);(223.037,0.017);(224.046,0.035);(225.054,0.013);(226.025,0.011);(227.032,0.01);(239.035,0.104);(240.042,0.061);(267.029,0.105);(268.038,1.0);(269.045,0.653);(270.047,0.098)
LC-MS/MSLC-ESI-UNKNOWNNegativelowView Spectrum(269.045,0.746);(270.049,0.101);(311.057,0.03);(431.099,1.0);(432.101,0.208);(433.108,0.015)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(253.055,0.011);(268.038,0.39);(269.045,1.0);(270.048,0.133);(271.051,0.012);(283.061,0.016);(311.056,0.034);(431.098,0.97);(432.102,0.204);(433.107,0.015)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.082936,0.00016624);(50.716111,0.00017259);(52.053661,0.00018721);(54.268456,0.00017965);(55.017763,0.00022822);(55.025267,0.00017113);(57.03324,0.00887179);(57.410764,0.00017961);(57.786279,0.00016993);(57.974339,0.01016635);(59.012498,0.3835512);(60.015865,0.00682746);(60.974022,0.00035988);(61.029508,0.00017111);(61.987001,0.05810179);(63.961089,0.04373578);(65.002021,0.005309);(65.013083,0.00068488);(65.95684,0.00036934);(65.997264,0.00069829);(68.012996,0.00016763);(68.668864,0.00017077);(68.996875,0.00088667);(69.033308,0.00054946);(69.958913,0.00020068);(71.012535,0.01595596);(72.991788,0.00541282);(73.028175,0.00258147);(75.007437,0.00406414);(78.957757,0.01083224);(78.984602,0.13552123);(79.017687,0.00035396);(79.953388,0.00051006);(79.956041,0.08346422);(80.963861,0.14641111);(80.980445,0.00380484);(81.033219,0.0007863);(81.951851,0.0009463);(82.95971,0.00466068);(83.012594,0.00770497);(83.048888,0.00558247);(85.028204,0.0090769);(85.476139,0.0002014);(87.00747,0.01838898);(87.043904,0.00024073);(88.039249,0.00075442);(88.343896,0.00016573);(89.023066,0.01028944);(89.041517,0.00279999);(90.000644,0.00094662);(90.932311,0.00039331);(91.020763,0.00154966);(92.566623,0.00019635);(93.000241,0.00090493);(93.033283,0.02992841);(93.971725,0.00087275);(94.979568,0.72717125);(95.012608,0.00353203);(95.048892,0.00019405);(95.933204,0.00110736);(95.950998,0.0015858);(95.979036,0.00398772);(95.982939,0.00689624);(96.007736,0.00020329);(96.895494,0.00018599);(96.9588,0.37452928);(96.975279,0.03167375);(96.983779,0.00249546);(97.028153,0.00267351);(97.958221,0.00078238);(98.023618,0.0007328);(98.059713,0.0001893);(98.951421,0.00034734);(98.954641,0.01602653);(98.962995,0.00058271);(99.007459,0.00872516);(99.043849,0.003802);(99.924481,0.02010286);(100.775157,0.00019166);(100.924641,0.00025715);(100.932348,0.01405616);(101.02312,0.0083945);(101.932519,0.00016878);(102.054766,0.00175961);(102.739739,0.00018958);(103.919002,0.00399618);(103.979907,0.00477104);(106.098506,0.00016968);(107.012634,0.02451518);(107.048797,0.00039213);(108.020484,0.00022477);(108.995271,0.00224189);(109.02829,0.01927377);(110.023397,0.00041154);(110.956792,0.02101006);(110.974537,0.06700309);(111.007543,0.00803794);(111.043766,0.0003764);(111.928153,0.00072049);(111.937654,0.00017621);(112.002843,0.00023988);(112.935982,0.00119678);(112.952776,0.00020368);(112.970252,0.00094275);(112.986764,0.00087424);(113.023211,0.01018181);(113.924787,0.000269);(114.932871,0.0004726);(115.002594,0.00077392);(115.915372,0.0002222);(115.919491,0.03353722);(116.919852,0.00229612);(116.927363,0.0440369);(117.5042,0.00017387);(117.92754,0.00294343);(117.946532,0.0015923);(118.97965,0.003363);(119.033865,0.00031984);(119.049074,0.01153022);(121.028361,0.00902087);(121.990708,0.00040708);(122.974605,0.01044585);(123.007634,0.00689106);(123.043945,0.003899);(123.900941,0.00052898);(124.064016,0.00019039);(125.023223,0.03580643);(125.096166,0.00077784);(125.927842,0.00018509);(126.026789,0.00019734);(126.951706,0.00175238);(127.002533,0.0032599);(129.018259,0.00159299);(130.942956,0.00658315);(131.012744,0.00326235);(131.049687,0.00017792);(133.028396,0.00152511);(133.548973,0.00019451);(134.023643,0.00020235);(135.007684,0.01292593);(135.04411,0.00272538);(135.969898,0.0024523);(136.039351,0.0002561);(136.986859,0.00017155);(137.023294,0.02798743);(137.096357,0.00018674);(139.002601,0.01327424);(139.039006,0.00222409);(140.967543,0.00019949);(141.018216,0.00267351);(141.953468,0.0002173);(142.050224,0.00019816);(142.943006,0.00217475);(142.979895,0.00057348);(143.033774,0.00017294);(145.028274,0.0005224);(147.044071,0.00088679);(149.008765,0.00047208);(149.023426,0.01347522);(150.031204,0.00017448);(151.002632,0.71195393);(151.03908,0.0043127);(151.076098,0.00019476);(152.005897,0.05007517);(152.034575,0.00021475);(152.214219,0.00017711);(152.894041,0.00110597);(152.9166,0.0004364);(152.98536,0.00035551);(152.994823,0.01836774);(153.007117,0.00449638);(153.01827,0.03064485);(153.055309,0.0001665);(154.021567,0.00045562);(154.894395,0.00764395);(154.997856,0.00086933);(155.033741,0.00032226);(156.889733,0.00128754);(158.938248,0.0017379);(159.028654,0.00017074);(159.043975,0.00035231);(159.892935,0.00050549);(160.892036,0.00036177);(161.023456,0.00696985);(161.045086,0.00035953);(161.059634,0.00016609);(161.893241,0.00021479);(162.018828,0.00033167);(162.583455,0.00019253);(162.892427,0.00055142);(163.002739,0.04267117);(163.039206,0.00343809);(164.00521,0.00034887);(164.034464,0.00019025);(164.894958,0.00036211);(164.982281,0.00085295);(165.018351,0.02513532);(165.054748,0.00423049);(166.013683,0.01632722);(166.909719,0.00027463);(166.997813,0.00205123);(167.034143,0.00878438);(169.013317,0.03064767);(171.044315,0.00016578);(171.101637,0.00130844);(171.983433,0.00020877);(172.161586,0.00018163);(172.940326,0.00017556);(172.95747,0.00237511);(173.059892,0.00021145);(173.117357,0.00123998);(174.933123,0.0003291);(174.991813,0.00021195);(175.002755,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LC-MS/MSLC-ESI-QFTPositivemediumView 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LC-MS/MSLC-ESI-QFTNegativehighView 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LC-MS/MSLC-ESI-QFTNegativehighView 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LC-MS/MSLC-ESI-QFTPositivehighView 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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(51.940716,0.00657569);(53.039346,0.0039936);(54.156633,0.00185063);(54.157429,0.00174374);(55.01859,0.01134059);(55.054986,0.01856194);(55.935129,0.01347967);(56.050213,0.00880218);(56.942938,0.00240182);(56.96553,0.13037765);(57.034222,0.00199007);(57.070619,0.0244603);(57.935528,0.00223464);(58.065849,0.01255897);(58.961247,0.00290929);(59.049848,0.00279246);(59.061101,0.00741499);(59.931037,0.00049201);(60.958402,0.00139003);(61.011375,0.12820564);(61.029159,0.00041855);(62.014735,0.00142567);(62.019182,0.05875229);(63.007144,0.00428968);(63.027009,0.0009821);(63.99843,0.01041245);(64.014912,0.00067428);(65.039298,0.00269043);(67.054891,0.01560465);(68.050148,0.00266934);(68.943348,0.00126904);(68.963162,0.00038076);(68.997773,0.00187702);(69.034154,0.00788949);(69.07052,0.00727974);(70.065786,0.01765566);(70.942456,0.00058247);(70.958495,0.02896348);(70.981085,0.00137789);(71.049854,0.00069229);(71.086161,0.00794786);(71.929905,0.00149642);(71.952498,0.00818968);(72.081363,0.00081929);(72.937744,0.03130333);(73.029066,0.00038013);(74.975991,0.0027314);(79.021791,0.06329834);(79.024232,0.00027818);(79.0548,0.01356634);(80.025085,0.0003511);(80.05001,0.0055919);(81.017508,0.00084728);(81.034039,0.00515336);(81.05787,0.00069771);(81.070435,0.01137856);(82.065703,0.0097091);(83.049702,0.00110938);(83.085995,0.00107408);(83.976311,0.00025345);(84.044905,0.00256079);(84.081313,0.05157551);(84.938116,0.00080477);(84.960245,0.00891775);(85.028946,0.00597196);(85.065319,0.00217307);(85.084628,0.00100444);(85.101706,0.00155302);(86.060525,0.00038271);(86.096906,0.00330162);(87.044431,0.00077247);(88.937302,0.00029679);(88.968922,0.00730653);(89.060165,0.00198707);(89.940418,0.00143779);(89.963977,0.00034067);(90.948153,0.01974772);(91.054712,0.03031533);(91.057623,0.0007837);(92.049946,0.02317355);(92.057956,0.0002995);(93.057855,0.00081513);(93.070324,0.01341118);(94.065561,0.01535568);(95.049571,0.00565516);(95.085889,0.00690675);(96.044984,0.00024562);(96.08121,0.11037262);(97.028862,0.00280051);(97.065256,0.00037049);(97.084568,0.00551563);(97.101578,0.00029204);(98.060444,0.02836019);(98.096849,0.01950146);(98.975767,0.24519999);(99.979082,0.00463767);(100.076045,0.00191703);(100.112548,0.00082365);(100.971841,0.00035799);(102.948412,0.00267051);(102.968675,0.00455987);(103.054606,0.00566505);(103.924287,0.00105236);(104.107349,0.0002865);(104.963718,0.00030571);(105.033822,0.02866567);(105.070187,0.01140592);(105.917281,0.00066055);(106.037251,0.00073421);(106.065484,0.00439972);(107.049414,0.00232361);(107.073269,0.00087688);(107.085712,0.00281594);(107.950716,0.00026742);(108.081122,0.00551036);(108.958458,0.00056952);(109.028552,0.0004359);(109.065022,0.00112836);(109.101481,0.00096828);(110.060329,0.0044178);(110.096665,0.00410234);(110.975617,0.00427702);(112.075951,0.10945019);(113.079263,0.00559542);(114.091592,0.00851658);(115.054491,0.00180419);(116.070845,0.0031219);(116.963804,0.00321444);(116.986131,0.19611293);(117.057474,0.00672034);(117.070079,0.00583926);(117.989542,0.0037032);(118.065362,0.01565566);(118.924935,0.00038921);(118.943116,0.00096547);(118.947665,0.0093341);(118.990303,0.00025289);(119.001783,0.00027426);(119.049322,0.00451904);(119.085729,0.0084066);(120.080932,0.00638779);(120.940663,0.00897838);(120.978999,0.00351707);(121.02858,0.0041822);(121.064851,0.00092789);(122.060137,0.00042041);(122.096589,0.00572586);(122.941009,0.00116266);(124.039889,0.00022574);(124.07582,0.00267231);(124.112169,0.00143198);(125.00004,0.00044013);(128.062183,0.00125455);(128.963795,0.00890293);(128.985971,0.0075268);(129.069933,0.00652322);(130.065159,0.00739961);(130.979359,0.00415544);(131.001376,0.00468181);(131.049234,0.00408193);(131.073,0.02219295);(131.085587,0.00445295);(131.961325,0.00040367);(132.080883,0.01209946);(132.958258,0.01974844);(132.995238,0.00035526);(133.017345,0.00033593);(133.064927,0.00049324);(133.088685,0.0002933);(133.948367,0.00098066);(134.059864,0.00048095);(134.096474,0.0135864);(134.956166,0.01285016);(134.974121,0.00100936);(134.97877,0.03183198);(134.996493,0.07547787);(135.04408,0.00034578);(135.927678,0.00172235);(135.999846,0.00065977);(136.075686,0.00234589);(136.11214,0.01381786);(136.953072,0.0002588);(136.958009,0.01720314);(136.974361,0.00210974);(137.023163,0.0006046);(137.059692,0.00215108);(138.091292,0.00041773);(138.951036,0.00270254);(138.984088,0.00037365);(138.989597,0.00027809);(140.984607,0.00045675);(141.069874,0.00156397);(142.017194,0.00023071);(142.979268,0.00077893);(143.001356,0.00180399);(143.085699,0.0006129);(144.080741,0.02210649);(144.958525,0.00939928);(144.980347,0.00081377);(144.994698,0.00054907);(145.028413,0.00454916);(145.06466,0.00122802);(145.088738,0.00412752);(145.100967,0.00028871);(146.096353,1.0);(146.956597,0.00090903);(146.974248,0.03495176);(146.996377,0.00280253);(147.044099,0.0015571);(147.093538,0.00310089);(147.099596,0.10465562);(147.117028,0.00073513);(147.974506,0.00248071);(148.075614,0.00442274);(148.103071,0.00298361);(148.111967,0.04839076);(148.95607,0.00067806);(148.971831,0.07446425);(148.990055,0.00042308);(149.012112,0.00169784);(149.023226,0.00747372);(149.083543,0.00026473);(149.114896,0.00176562);(149.120405,0.00094);(149.971947,0.00217019);(150.091262,0.01007348);(150.127682,0.00942814);(150.95105,0.03334683);(150.968659,0.0262259);(151.039014,0.00042107);(151.130822,0.00029876);(151.9588,0.00038688);(152.10698,0.00038291);(152.951907,0.00699643);(152.966693,0.00877166);(152.989243,0.02382059);(153.007086,0.00581837);(153.018165,0.02793308);(153.959243,0.00966678);(154.021578,0.00031879);(154.947086,0.00067784);(154.968589,0.01114771);(154.984856,0.0022807);(155.022077,0.00023377);(155.954681,0.00222069);(157.016942,0.00055382);(157.989898,0.00037973);(158.096424,0.00278583);(158.973943,0.00111566);(158.996214,0.00046348);(159.043922,0.00162214);(159.080319,0.00167964);(160.075917,0.00029161);(160.112033,0.00522021);(160.952475,0.00024969);(160.989992,0.000347);(161.012098,0.00101968);(162.091333,0.00519828);(162.127631,0.00077619);(162.96864,0.00027552);(163.027777,0.00048363);(163.977026,0.00085255);(164.10699,0.0069859);(164.915775,0.00329299);(164.967025,0.00065617);(165.018253,0.00222086);(165.938252,0.00025452);(166.085829,0.00026605);(166.98249,0.0137178);(168.961681,0.01152492);(169.016921,0.00039473);(169.064752,0.00261107);(170.117381,0.00049577);(170.963341,0.01161184);(170.999555,0.00088339);(171.032842,0.00069549);(175.075567,0.00037294);(176.000711,0.00041079);(176.10702,0.00175932);(177.938088,0.00169319);(178.892613,0.00070277);(180.887987,0.01775937);(181.918308,0.0007167);(182.88907,0.00024073);(182.92639,0.00092286);(185.012159,0.00068866);(185.949312,0.00056562);(186.878272,0.00062954);(187.075118,0.00038074);(188.106845,0.0010673);(188.91587,0.00753859);(188.974209,0.00602483);(189.043246,0.00140433);(189.516641,0.00182712);(190.122569,0.00101352);(190.954211,0.00022723);(191.118178,0.00026976);(191.880788,0.00476402);(192.961664,0.01090829);(193.133675,0.00529665);(195.032869,0.00055562);(195.948734,0.00443417);(196.86551,0.00029198);(197.012222,0.00068852);(197.059751,0.00450678);(197.875644,0.00037446);(197.89071,0.00099398);(198.898784,0.0026615);(203.022501,0.00082677);(204.138301,0.00127634);(204.88866,0.00246585);(204.930984,0.00054459);(205.918714,0.00034099);(205.98889,0.00054489);(206.117877,0.00077892);(206.867776,0.00323199);(206.92627,0.02630528);(206.977757,0.00863729);(207.875668,0.00626811);(207.89709,0.00025174);(208.883666,0.00654481);(208.926022,0.0003574);(208.9592,0.00158835);(209.8914,0.00994057);(210.89955,0.00029371);(210.921045,0.00033231);(210.971925,0.00698463);(213.006904,0.00038829);(214.893741,0.00149837);(215.070099,0.01757047);(216.073448,0.00083755);(218.117456,0.00095865);(218.868278,0.00247208);(219.017448,0.00084769);(219.149198,0.00035355);(220.133205,0.00866545);(220.884128,0.00092063);(220.903277,0.00927692);(221.012357,0.00025419);(221.091689,0.00033228);(221.107111,0.00036937);(221.120261,0.00052415);(221.126723,0.00043366);(221.138046,0.00051863);(221.1426,0.00050183);(221.162021,0.00037118);(221.17449,0.00049798);(221.186718,0.00036248);(221.204745,0.00060575);(221.90213,0.00147495);(222.148904,0.00169766);(222.898474,0.07908882);(222.920528,0.00399245);(223.152188,0.00075068);(223.900217,0.0032142);(223.928994,0.00708671);(224.878454,0.00748802);(224.899029,0.00889074);(224.936986,0.0083074);(225.054697,0.00034621);(225.886416,0.01273923);(225.89729,0.00176037);(226.895423,0.00483155);(227.059033,0.00239117);(227.90023,0.00095585);(228.138143,0.00035189);(228.889144,0.00151736);(228.900804,0.00073607);(229.001735,0.00045019);(229.895886,0.02309698);(230.898521,0.00036414);(231.896725,0.00078263);(232.8832,0.00025999);(232.893906,0.00050029);(232.904287,0.0022551);(232.960475,0.00055409);(233.891326,0.01186171);(234.899222,0.03945207);(234.920404,0.00025663);(235.899551,0.00205185);(236.91542,0.0002606);(237.00677,0.00025659);(237.028113,0.00184804);(237.04314,0.00024019);(237.92213,0.00060555);(238.893468,0.00040873);(238.9134,0.01935842);(239.022639,0.00035289);(239.886312,0.00258469);(239.900514,0.00110244);(239.912713,0.0033814);(240.908996,0.15350817);(241.881153,0.00028649);(241.910806,0.00838366);(241.939067,0.00032771);(242.870481,0.00059704);(242.894876,0.00137776);(242.909534,0.02699617);(243.06509,0.01070829);(243.907445,0.00790281);(244.068205,0.00025564);(244.871511,0.00042487);(244.884129,0.00267781);(244.905357,0.00990078);(244.930622,0.0003849);(245.069436,0.00121441);(245.164642,0.04733399);(245.910914,0.00212143);(246.148544,0.00276684);(246.168272,0.00590434);(246.911483,0.00041868);(247.180441,0.03501762);(247.906231,0.02071718);(248.18389,0.00371874);(248.878314,0.01703877);(248.902688,0.00057948);(248.939298,0.00433172);(249.906984,0.00307457);(250.893677,0.00917037);(250.905946,0.00104761);(250.932656,0.00037327);(250.970044,0.00024368);(251.902447,0.00027628);(252.910162,0.00029276);(253.049456,0.00587044);(253.917441,0.00236566);(254.107075,0.00030864);(254.924576,0.00058304);(255.896364,0.00029331);(256.133142,0.00534267);(257.032996,0.00024375);(257.8964,0.00204368);(258.052269,0.00442243);(258.86591,0.00026386);(259.893783,0.00076497);(260.881111,0.00093026);(260.903321,0.00402782);(261.885381,0.000242);(262.894723,0.00394152);(263.92452,0.00190331);(264.908718,0.00924134);(265.190756,0.02597732);(265.93944,0.00347691);(266.194384,0.00276353);(266.889045,0.00648746);(266.909419,0.00148601);(266.924954,0.00067319);(268.13299,0.12039071);(269.136431,0.02231679);(269.163286,0.00047543);(271.059902,0.0436625);(272.063676,0.00458379);(275.901758,0.00080829);(276.876005,0.00973622);(276.909761,0.00171081);(277.004834,0.00274011);(279.896623,0.00533311);(279.923568,0.00090544);(281.896402,0.00589448);(281.93446,0.00043464);(282.149227,0.00283718);(282.919824,0.00818446);(283.059292,0.00028209);(283.891882,0.00094989);(284.807446,0.00024163);(284.919833,0.00180359);(285.815813,0.00078379);(286.046798,0.00930824);(287.053859,0.00357955);(287.1752,0.00205959);(287.83075,0.00057964);(288.160099,0.00036223);(292.814082,0.00025876);(295.927841,0.00107193);(297.816469,0.00035759);(297.906775,0.00134378);(300.148043,0.00218197);(301.070678,0.00296103);(302.818622,0.00176223);(312.838745,0.01002436);(313.204931,0.0002693);(318.828835,0.00024014);(319.201326,0.00543222);(319.836068,0.00238818);(325.830423,0.00047322);(326.819159,0.00056289);(327.826044,0.00704706);(328.832916,0.0002892);(329.049619,0.00042637);(337.846162,0.000992);(342.832827,0.00068709);(342.989631,0.0053497);(344.828592,0.01076672);(345.027914,0.01038744);(346.031369,0.00043014);(353.840385,0.00050571);(360.014821,0.00145155);(361.000271,0.00422654);(363.038328,0.00235259);(369.836308,0.00375045)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(43.01838972,0.8032477548);(45.03403978,0.2715356506);(71.01330434,0.2782494651);(73.0289544,0.7253090649);(85.0289544,0.3831213472);(95.04968984,1.032203534);(103.0395191,0.9692444951);(105.0551691,0.2818724672);(133.0500838,0.5331173206);(145.0500838,0.7029086178);(161.0449984,0.3746263106);(163.0606485,2.890582936);(253.0500838,0.6615950658);(255.0657338,1.8856114);(259.097034,0.2516974722);(261.112684,0.2516974722);(263.1283341,0.2516974722);(265.1439842,0.2516974722);(271.0606485,41.21450555);(275.0919486,0.4762224134);(277.1075986,0.4807271576);(279.1232487,0.4807271576);(299.0555631,0.2965832591);(339.0716071,0.6015246921);(341.0661278,0.3093598225);(397.0923425,0.319479797);(397.0923425,2.030213799);(403.1029072,0.4024917274);(415.1029072,4.249227422);(415.1029072,14.20253496);(433.1134719,22.13638693)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,1.85787778);(45.03403978,0.7096545791);(47.04968984,0.240354563);(55.01838972,0.3691820034);(73.0289544,0.410316024);(95.04968984,0.8004794681);(103.0395191,0.2367071878);(145.0500838,3.171370528);(153.0187836,0.2550220146);(161.0449984,0.3315336931);(163.0606485,3.501956784);(229.0500838,1.49964524);(231.0657338,0.2588095621);(241.0500838,3.306691434);(253.0500838,5.969821001);(255.0657338,1.711696929);(271.0606485,63.92919829);(277.1075986,0.2264699176);(279.1232487,0.2264699176);(311.0555631,0.5168306918);(313.0712131,0.2912733714);(315.0868632,0.2699840677);(371.0766924,0.3243208462);(373.0923425,0.2711514384);(397.0923425,1.770170381);(401.0872571,0.4294665047);(403.1029072,0.326730496);(403.1029072,0.5580600766);(415.1029072,0.5616665853);(415.1029072,3.604070351);(433.1134719,2.063018279)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(43.01838972,5.908528845);(45.03403978,1.351531325);(55.01838972,1.038431686);(57.03403978,0.7046872717);(59.01330434,0.7638220042);(65.03912516,0.8734945487);(71.01330434,1.182491497);(73.0289544,0.9588451413);(79.01838972,0.8628848426);(87.00821896,2.456778323);(89.02386902,1.068334076);(95.04968984,1.599531026);(101.023869,1.223757866);(103.0395191,1.500146428);(119.0496898,4.436600284);(135.0446045,1.396608957);(137.023869,1.249665599);(143.0344337,0.8549038318);(145.0500838,2.883291766);(153.0187836,2.760530927);(203.0344337,1.156795257);(229.0500838,4.249031953);(241.0500838,16.01699016);(243.0293483,0.7883556446);(253.0500838,8.742248058);(255.0657338,4.598663003);(271.0606485,24.97087862);(277.1075986,1.429627519);(279.1232487,1.429627519);(299.0555631,0.826443845);(415.1029072,0.7164721809)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(43.01838972,0.8097492853);(45.03403978,0.4704669804);(59.01330434,0.9407725591);(71.01330434,0.5217255681);(73.0289544,1.36204653);(85.0289544,0.6277653995);(89.02386902,2.446157756);(91.03951908,0.3569742354);(101.023869,0.4079320786);(103.0395191,3.110164619);(119.0344337,0.5126949807);(133.0500838,2.097509819);(161.0449984,1.613116722);(251.0344337,0.6697428003);(253.0500838,0.5575885526);(269.0449984,27.79250883);(293.0449984,0.5090108032);(311.0555631,1.836399106);(313.0712131,0.3846443134);(327.0504777,1.105269994);(329.0661278,0.3758920166);(341.0661278,0.8247938364);(345.0974279,0.3524812317);(357.0610424,0.4231758883);(371.0766924,0.4731375389);(399.0716071,0.3610686217);(401.0872571,0.4905743545);(401.0872571,1.201723282);(413.0872571,1.555005043);(413.0872571,7.842486109);(431.0978218,37.96742115)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(41.00273965,0.586948712);(43.01838972,3.024391971);(45.03403978,1.009499594);(59.01330434,1.50156729);(71.01330434,0.6887265948);(73.0289544,3.116072109);(89.02386902,0.5603326646);(93.03403978,1.25408162);(101.023869,0.788223841);(103.0395191,1.494919091);(131.0344337,0.8986475157);(133.0500838,1.133091009);(161.0449984,1.453592601);(227.0344337,1.046409298);(251.0344337,3.242388687);(253.0500838,0.8790754715);(269.0449984,54.68861134);(295.0606485,0.6207781996);(311.0555631,1.662613446);(327.0504777,1.387054589);(337.055957,0.7441200946);(339.0504777,0.6828736441);(341.0661278,0.9494633923);(371.0766924,0.7400626032);(383.0766924,0.6162509807);(399.0716071,0.6429002063);(401.0872571,0.6426274703);(401.0872571,1.782274084);(413.0872571,1.579770475);(413.0872571,4.895360512);(431.0978218,5.687270897)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,2.825345278);(43.01838972,7.11140935);(45.03403978,1.814455437);(55.01838972,0.5279733269);(56.99765427,0.8293081702);(59.01330434,3.143647994);(71.01330434,1.381210739);(73.0289544,1.631880366);(75.04460446,0.3762883119);(89.02386902,0.8115806926);(91.03951908,0.4177339336);(93.03403978,1.466134414);(103.0395191,0.448563089);(117.0340398,7.858433835);(131.0133043,0.5199582941);(131.0344337,1.067190794);(133.0289544,1.126318333);(135.008219,1.079068054);(151.0031336,2.952914012);(201.0551691,1.448328142);(213.039913,0.3842047162);(227.0344337,9.736683943);(239.0344337,2.618413515);(251.0344337,7.208801974);(253.0136983,0.8107317985);(253.0500838,1.52769056);(269.0449984,35.78919312);(271.0606485,0.3781953706);(309.039913,1.511577864);(339.0504777,0.7443715573);(341.0661278,0.4523930192)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Genistin Genisteinhumanplasmagut microbiota metabolite5h-8h0.5-2 µmol/LNot AvailableC15H10O5270.052823422 Publications
Genistin Genistinhumanplasmaunchanged5h-8h2-5 µmol/LNot AvailableC21H20O10432.105646844 Publications
Genistin Dihydrogenisteinhumanplasma, urinegut microbiota metabolite8h-12h50-200 nmol/LNot AvailableC15H12O5272.068473486 Publications
Genistin Genistein 7-O-glucuronidehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC21H18O11446.0849114 Publications
Genistin Genistein 4',7-diglucuronidehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC27H26O17622.116999377 Publications
Genistin Genistein-7-O-glucuronide-4'-sulfatehumanplasmahost metabolism3h-5hNot AvailableNot AvailableC21H17O14S525.034449981 Publications
Genistin Genistein 4'-O-glucuronidehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC21H18O11446.0849114 Publications
Genistin Genistein 7-O-sulfatehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC15H10O8S350.009638456 Publications
Genistin Genistein 4'-O-sulfatehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC15H10O8S350.009638456 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Genistin DihydrogenisteinMicrobiotaEffect, clusters Publications
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