PhytoHub: Showing entry for Glycitein

Glycitein

Identification

PhytoHub ID

PHUB000227

Name

Glycitein

Systematic Name

Not Available

Synonyms

7,4'-Dihydroxy-6-methoxyisoflavone
Glycitein

CAS Number

Not Available

Average Mass

284.267

Monoisotopic Mass

284.068473486

Chemical Formula

C₁₆H₁₂O₅

IUPAC Name

7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one

InChI Key

DXYUAIFZCFRPTH-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

SMILES

COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 5.56e-02 g/l
LogS (ALOGPS): -3.71
LogP (ALOGPS): 3.35
Hydrogen Acceptors: 5
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 75.99
Refractivity: 76.16520000000001
Polarizability: 28.75318884508596
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.75168191145487
pKa (strongest acidic): 6.919338975199671
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: Isoflavones

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Flavonoid metabolites
Metabolite Sub-class: Isoflavones (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Glycitein	Polyphenols	Flavonoids	Isoflavones	Show Food Phytochemical
6''-O-Acetylglycitin	Polyphenols	Flavonoids	Isoflavones	Show Food Phytochemical
6''-O-Malonylglycitin	Polyphenols	Flavonoids	Isoflavones	Show Food Phytochemical
Glycitin	Polyphenols	Flavonoids	Isoflavones	Show Food Phytochemical

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", "Alkyl aryl ethers", "Anisoles", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives"]
External Descriptor Annotations: ["7-hydroxyisoflavone", "Isoflavonoids", "isoflavones", "methoxyisoflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "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	(94.04131312,1.45927196);(105.0334885,1.940543976);(117.0334885,1.363273653);(118.0413131,2.465073359);(119.0491377,1.800009178);(122.0362272,4.521323312);(123.0440518,1.928044114);(124.0518764,2.250546025);(132.020578,1.325647069);(133.0284026,2.255558214);(135.0440518,1.890874273);(138.0311413,4.010388663);(139.0389659,1.577411409);(148.0154921,1.38900582);(150.0311413,1.606514504);(228.0417046,1.234517809);(240.0417046,2.018444235);(241.0495292,4.191000336);(254.0573538,9.663919514);(255.0607424,1.651646848);(255.0651784,9.565160677);(256.0685696,1.636203104);(256.073003,15.16078718);(257.0763967,2.595657663);(266.0573538,2.174078462);(267.0651784,2.383999441);(268.0366187,2.163151751);(269.0444433,2.935029887);(283.0600925,1.856186629);(284.0679171,7.597989716);(285.0713101,1.388741217)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,4.850333337);(99.02606472,0.8080376658);(113.0417139,0.9176751042);(115.0573631,1.349441705);(175.0573631,1.267487597);(179.0522772,0.8696398524);(189.0730123,0.9625697244);(191.0522772,0.8269373328);(191.0886615,1.609165258);(195.0835756,0.8165071813);(205.0679264,0.821401404);(207.0835756,1.471643622);(223.0784897,0.7955579743);(239.0734038,0.9284556358);(326.0968776,0.9495624182);(327.1047022,2.615880628);(341.0839671,2.068682512);(355.0996163,2.901385223);(356.1074409,1.560897282);(357.1152655,1.397994743);(383.1129276,1.145438128);(384.1207522,0.8837756668);(385.1285768,4.29854847);(386.1308084,1.420227852);(398.1364014,1.694247949);(399.144226,1.092425751);(400.1520506,2.218892961);(412.1156663,1.2313421);(413.1234909,5.124635867);(414.1257615,1.752450705);(428.1469647,0.8115890633)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(94.04131312,0.8753983831);(105.0334885,1.880687856);(117.0334885,0.940779159);(118.0413131,1.801030157);(119.0491377,1.694195689);(122.0362272,2.703215064);(123.0440518,1.806134621);(124.0518764,1.24642902);(135.0440518,1.067018635);(138.0311413,1.517229522);(148.0154921,1.446695874);(149.0233167,1.043852761);(150.0311413,2.239241499);(151.0389659,2.004580691);(166.0260554,0.9710880547);(226.0260554,0.9680655827);(228.0417046,0.9138539732);(240.0417046,1.598939476);(241.0495292,3.046425382);(254.0573538,6.078744569);(255.0607424,1.038909657);(255.0651784,5.475466626);(256.0685696,0.9366257181);(256.073003,9.633049618);(257.0763967,1.649261266);(266.0573538,1.304201562);(267.0651784,1.430130443);(268.0366187,1.297646769);(269.0444433,1.491423752);(283.0600925,1.113502361);(284.0679171,4.302181972)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(125.0254,999.0);(151.0059,173.0);(152.0143,182.0);(178.9984,455.0);(256.0702,164.0);(297.0824,185.0);(308.067,164.0);(325.0721,521.0);(326.0792,209.0);(337.0735,248.0);(355.0854,199.0);(389.1091,205.0);(407.1169,232.0);(419.1107,234.0);(423.1084,308.0);(433.0928,197.0);(435.1094,274.0);(453.1133,174.0);(463.1045,152.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(283.0619,999.0);(284.0648,118.0);(351.0483,32.0);(589.1126,33.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(268.0378,83.0);(283.0616,999.0);(284.065,94.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(184.055,197.0);(196.0526,253.0);(211.0417,301.0);(239.0349,335.0);(240.043,999.0);(241.0441,159.0);(267.0304,145.0);(268.038,209.0);(1089.8632,119.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(147.0143,425.0);(211.0383,999.0);(239.0326,876.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(196.0518,27.0);(211.0424,20.0);(239.036,42.0);(240.0428,999.0);(241.0462,103.0);(267.0305,28.0);(268.0375,707.0);(269.0417,65.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(240.0429,96.0);(268.0382,999.0);(269.0413,94.0);(283.0614,184.0);(284.0645,31.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.051999,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.033289,100.0);(269.027025,0.619273)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.070192,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(268.056836,100.0)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(268.0378,8.308308);(283.0616,100.0);(284.065,9.409409)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(184.055,19.71972);(196.0526,25.325325);(211.0417,30.13013);(239.0349,33.533534);(240.043,100.0);(241.0441,15.915916);(267.0304,14.514515);(268.038,20.920921);(1089.8632,11.911912)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(147.0143,42.542543);(211.0383,100.0);(239.0326,87.687688)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(196.0518,2.702703);(211.0424,2.002002);(239.036,4.204204);(240.0428,100.0);(241.0462,10.31031);(267.0305,2.802803);(268.0375,70.770771);(269.0417,6.506507)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(240.0429,9.60961);(268.0382,100.0);(269.0413,9.409409);(283.0614,18.418418);(284.0645,3.103103)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(110.895797,0.60892);(132.911402,0.552793);(138.919032,2.214057);(144.903845,13.091301);(145.865107,0.959816);(151.950916,0.610853);(166.939751,13.39955);(167.988732,0.875678);(168.985637,0.936785);(180.944623,1.055498);(182.967602,0.570142);(197.019401,4.675993);(208.946308,0.639882);(210.994285,0.664848);(225.008139,16.976299);(226.000516,1.581213);(229.021053,22.813333);(230.028463,2.063831);(239.027693,1.546367);(241.090884,2.051767);(242.055198,1.771604);(242.99773,1.055338);(251.995038,1.079914);(252.982698,1.548685);(253.989632,2.107422);(255.020936,0.502904);(257.043964,13.47967);(258.085554,1.542515);(267.053472,3.613505);(268.084625,0.518488);(270.020676,100.0);(271.000585,11.044286);(285.035521,9.908068);(286.083603,1.105179)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(138.89754,1.428119);(144.932256,9.939189);(145.915673,0.612917);(151.972351,0.55062);(166.921195,10.330032);(167.910913,0.728444);(168.968361,0.838414);(180.972005,0.845624);(197.016216,3.831224);(210.984187,0.615152);(225.034743,14.822721);(226.033644,1.514128);(229.024382,18.268251);(229.957528,1.242684);(238.972343,0.948535);(241.027011,1.385075);(242.049535,1.78176);(243.044792,0.773805);(252.035935,0.9758);(253.057755,1.277316);(254.037414,1.729789);(257.005581,9.876722);(258.003693,0.923803);(266.985533,2.575011);(270.048143,100.0);(271.080041,9.045717);(285.036704,7.687521);(286.034632,0.65041)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(138.915468,1.664393);(144.939103,12.883849);(145.905287,0.5521);(151.922476,0.650959);(166.955419,11.413743);(168.972275,0.919478);(180.983112,1.171116);(183.001455,0.608893);(196.99459,4.299859);(209.009195,0.515351);(211.035027,0.77685);(225.023229,16.298214);(225.986214,1.461483);(229.043967,22.437544);(230.044166,1.289059);(239.032623,1.407465);(241.074306,1.782629);(242.036122,1.847406);(243.009281,0.815272);(252.013243,1.2249);(253.020398,1.573457);(254.021829,1.799433);(257.029663,13.601851);(258.048948,0.865723);(267.016557,3.559275);(270.001438,100.0);(271.016471,8.038929);(285.031302,8.890789);(286.059,0.629657)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(138.930612,1.384518);(144.922441,11.91882);(145.907259,0.809062);(151.908452,0.626831);(166.952743,11.638334);(167.93644,0.848283);(168.971889,0.833146);(180.98904,1.083995);(182.987902,0.574537);(196.991571,4.266496);(211.027808,0.623038);(225.008491,15.760306);(225.997785,1.827163);(229.035239,20.695659);(230.011249,1.795623);(239.010256,1.131094);(241.05544,1.497799);(242.028419,1.593993);(243.011244,0.672837);(251.999588,1.149315);(253.001762,1.436189);(254.024621,1.737275);(257.025026,11.40909);(258.028511,1.317625);(267.031049,2.983781);(269.995459,100.0);(271.015294,12.058409);(285.047214,8.829212);(286.044647,1.007113)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(133.839501,0.538203);(158.757877,0.386009);(161.783879,1.23671);(164.750003,0.436008);(189.838703,11.017498);(200.022195,0.346456);(207.830239,0.7982);(214.107307,0.411321);(219.043204,0.35094);(223.041257,0.383368);(226.870461,3.714336);(227.916671,0.634032);(228.862332,68.919617);(230.942371,0.473104);(235.083338,0.428192);(236.083338,0.357691);(244.797664,1.083338);(245.916672,0.537896);(246.250005,0.854848);(246.500005,1.258582);(246.833339,1.281117);(250.971597,2.544785);(251.864963,0.456748);(261.0284,0.916201);(262.099243,0.402945);(263.019192,1.208776);(263.833339,0.616091);(264.083339,0.514242);(265.000006,0.498303);(268.333339,0.613132);(268.583339,0.60642);(268.583339,0.60642);(274.083339,0.395582);(275.022112,2.293046);(276.889175,1.863932);(277.33334,0.468213);(278.166673,0.621983);(278.997441,4.068277);(279.955005,15.944919);(281.041991,0.389887);(282.004656,0.379054);(285.035266,10.255813);(286.037068,9.826265);(287.034608,1.886119);(288.115532,0.840756);(289.016494,2.476167);(289.981986,1.301921);(291.083044,0.482135);(291.961622,3.380488);(293.08334,0.454652);(296.58334,0.411835);(297.250007,0.775659);(297.500007,0.622047);(297.83334,1.295815);(298.500007,0.346633);(298.83334,0.821158);(299.250007,0.513175);(303.000007,0.47263);(303.250007,0.622108);(306.991252,4.768051);(307.885468,0.718266);(309.909256,0.360252);(311.083341,0.381234)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(133.808521,0.526957);(161.843422,0.742925);(162.902348,0.309068);(164.951757,0.27905);(174.829469,0.538761);(187.000003,0.272866);(189.84732,12.434369);(196.91667,0.31333);(207.070469,0.488415);(207.583337,0.346272);(207.733442,0.513147);(209.065831,0.338835);(210.796912,0.280486);(213.000004,0.41691);(214.957364,0.437566);(218.959954,0.466117);(222.182575,0.33915);(223.033952,0.704692);(226.917252,3.767845);(228.083338,0.496634);(228.863896,54.358191);(229.955175,0.395004);(234.972431,0.566947);(244.818941,1.520304);(246.083339,0.477298);(246.690838,1.346511);(248.833339,0.293899);(249.166672,0.406878);(250.93541,3.321898);(251.500005,0.317266);(251.992672,0.664789);(252.974621,0.298972);(255.250006,0.297266);(260.199483,0.391519);(261.010821,0.750332);(262.166672,0.306276);(262.833339,1.093394);(263.083339,1.734428);(263.963741,0.864922);(265.069169,0.411638);(267.166673,0.286633);(267.666673,0.296637);(268.590125,0.881744);(268.916673,0.372071);(271.03733,0.275424);(274.166673,0.364821);(274.916673,1.896225);(275.166673,2.331421);(276.083339,0.287023);(276.885166,1.664908);(277.916673,0.285096);(278.08334,0.457298);(278.96548,4.30858);(279.956527,17.333845);(280.750006,0.306798);(280.916673,0.362575);(281.916673,0.349712);(285.073765,11.321783);(286.042678,8.70629);(287.047027,2.001942);(288.250007,0.803273);(288.974715,1.938908);(290.010098,1.329375);(290.864571,0.66769);(291.166673,0.37503);(292.025254,3.802962);(292.904632,0.64573);(293.166673,0.398315);(296.83334,0.371475);(296.965525,0.454705);(297.250007,0.29087);(297.824199,1.193557);(298.604304,0.534593);(299.000007,0.915358);(303.111539,0.792582);(305.09577,0.347568);(306.959333,4.617554);(307.750007,0.553758);(308.000007,0.750145);(308.250007,0.360945);(310.064212,0.691519)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(244.885993,1.474604);(245.799487,1.430945);(246.872085,0.521766);(251.026152,1.584072);(278.943704,1.778955);(279.959597,5.784205);(280.98559,0.617742);(289.983812,0.817748);(291.048041,0.878036);(294.992782,14.451452);(295.963823,1.215369);(304.945524,0.94005);(307.980992,100.0);(308.98919,9.147928);(312.721006,0.568119);(323.004245,3.514643);(325.872746,8.929943);(326.860757,1.000604)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(244.912442,1.339478);(245.882149,1.525704);(251.06435,1.200577);(278.953301,1.390301);(279.964356,5.60811);(280.948514,0.555113);(289.966529,0.796364);(291.053865,0.817221);(294.995716,13.700609);(296.002885,1.168668);(305.02353,0.87632);(307.99248,100.0);(308.989097,7.983453);(312.83334,0.513989);(322.988191,3.500777);(325.908169,9.171504);(326.909638,1.344879)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(307.019024,100.0);(448.037175,0.796295);(576.089155,1.812528)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(292.986149,0.643423);(307.014197,100.0);(308.009478,0.779312);(309.038045,0.585044);(310.002759,0.619631);(325.004498,0.905703);(365.019966,0.823202);(448.062789,3.40229);(448.583342,0.72362);(449.083342,0.900161);(512.094303,1.022583);(513.229365,0.955947);(546.029734,0.546785);(574.061158,1.503867);(576.117755,4.839347)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(307.041908,100.0);(325.025519,0.665402);(365.026414,0.62792);(448.070628,2.712699);(448.583342,0.597876);(449.166676,0.646016);(512.09378,1.027956);(513.237563,0.923859);(574.063766,1.349461);(576.108539,3.445517)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(145.0282,1.856384381);(167.0336,4.420680047);(169.0645,0.3200662725);(181.0644,0.4179688971);(197.0594,3.02745039);(211.0749,0.4556237527);(225.0543,12.21146967);(226.0617,0.4292653538);(229.0856,16.76017622);(239.0699,0.7192077418);(241.0857,0.9865572166);(242.0571,0.9300749332);(243.0646,0.3765485559);(252.0418,0.5121060361);(253.0496,0.4330308393);(254.0572,0.7342696841);(257.0806,4.654140151);(270.052,37.65485559);(285.0755,13.10012426)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(138.9581,0.6717700359);(144.9411,4.962766234);(167.0481,5.769931781);(180.9799,0.5728271624);(197.223,1.687236369);(211.2674,0.869655783);(225.0643,6.717700359);(226.1496,1.317502474);(229.0803,10.88892361);(241.1163,0.6457324376);(242.1615,0.869655783);(253.1596,0.4999218872);(254.1706,1.036296412);(257.0918,7.066604176);(267.1249,1.432067906);(270.0645,52.07519658);(285.1701,2.916211009)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(141.06602,1.19);(155.04411,1.19);(167.02753,1.78);(169.06508,2.37);(197.05351,2.37);(214.0641,1.19);(225.04909,3.73);(226.06078,1.19);(229.07971,2.95);(242.05389,5.38);(257.07025,1.19);(270.04205,22.88);(285.07443,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(270.0504,1.76);(285.075,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.66669,1.35);(78.04539,1.42);(81.03346,1.77);(89.03198,1.84);(105.03386,1.77);(109.37037,1.91);(118.04115,1.49);(134.03456,2.55);(135.05084,1.28);(136.12616,1.56);(137.02385,5.04);(141.07123,4.18);(145.02544,1.56);(146.06656,1.28);(155.0603,1.35);(157.05536,1.84);(158.07657,3.12);(162.02109,1.28);(165.91292,1.21);(186.07387,3.83);(197.06265,2.91);(212.06114,1.7);(213.07137,1.63);(214.05919,9.22);(225.05098,1.7);(229.06969,1.28);(230.08287,1.42);(241.04631,2.06);(242.06584,2.91);(253.05336,1.42);(257.0784,1.77);(269.02951,1.28);(270.05252,8.01);(285.0752,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(196.05313,1.06);(240.04088,36.57);(268.03491,100.0);(283.05569,21.85)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(120.01791,5.71);(135.0076,9.84);(158.03508,5.71);(160.01445,6.98);(195.03552,7.3);(211.03381,5.71);(212.04463,14.29);(239.04207,5.71);(240.04143,5.71);(256.04086,6.98);(268.0383,52.38);(269.04623,13.02);(270.04172,6.03);(283.06161,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(105.0332,3.16);(106.0381,2.94);(107.0491,2.7);(108.0184,3.23);(111.0434,6.29);(115.0535,10.68);(116.0586,1.99);(118.0405,44.28);(119.0463,7.75);(121.0271,6.73);(124.0149,18.67);(125.0229,17.12);(127.0527,1.92);(129.0685,3.49);(130.0766,1.88);(131.0481,1.9);(133.0293,2.74);(134.0357,4.11);(135.0394,2.21);(139.0441,8.49);(141.0695,28.16);(143.0492,1.27);(144.0561,4.24);(145.0291,4.56);(147.0423,2.38);(151.0526,3.51);(152.0091,4.54);(153.0673,1.42);(154.072,1.06);(157.0637,10.06);(158.0714,9.88);(159.0736,2.31);(160.0552,1.02);(161.0224,2.1);(162.0276,4.15);(167.0358,4.6);(168.0557,31.85);(169.064,29.97);(171.0475,3.11);(172.0457,3.05);(173.0566,2.74);(179.0465,1.03);(185.0575,13.4);(186.0636,10.83);(187.0651,2.57);(195.0452,1.12);(196.0509,12.65);(197.0589,37.51);(200.0462,2.48);(213.0535,15.26);(214.0616,14.58);(224.0432,3.15);(225.0534,19.17);(229.0851,6.74);(241.0479,9.65);(242.0558,100.0);(253.05,9.96);(269.0444,2.92);(270.0511,41.81);(285.0778,3.09)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(197.0577,1.62);(225.0536,3.77);(229.0859,3.82);(242.0553,2.77);(257.0798,1.18);(270.051,16.57);(285.0753,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(110.1063,1.1);(151.9074,1.34);(195.0381,1.28);(240.0435,1.53);(241.0432,1.76);(245.0871,1.14);(268.0369,36.35);(283.0626,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0774,1.35);(124.9257,1.47);(196.0502,3.03);(240.0431,20.94);(267.3946,1.93);(268.0382,100.0);(283.0635,8.06)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(147.0143,42.54);(211.0383,100.0);(239.0326,87.69)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(184.055,19.72);(196.0526,25.33);(211.0417,30.13);(239.0349,33.53);(240.043,100.0);(241.0441,15.92);(267.0304,14.51);(268.038,20.92);(1089.8632,11.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(196.0518,2.7);(211.0424,2.0);(239.036,4.2);(240.0428,100.0);(241.0462,10.31);(267.0305,2.8);(268.0375,70.77);(269.0417,6.51)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(110.9073,14.88);(114.0663,3.55);(119.0319,7.43);(124.437,2.85);(126.8799,5.12);(129.908,2.68);(142.603,6.48);(146.193,11.52);(147.3707,4.73);(160.4991,3.15);(165.4569,4.2);(167.0542,5.91);(168.0505,8.78);(175.8115,2.65);(176.6196,2.76);(183.0438,59.79);(184.0522,48.77);(185.0532,16.8);(186.4673,9.77);(187.5548,3.8);(189.5213,11.42);(194.3073,4.13);(196.0519,44.98);(197.9003,2.13);(204.8431,2.65);(207.7465,61.72);(210.0293,4.41);(211.0375,65.44);(212.042,26.24);(224.0528,5.91);(234.5212,4.53);(239.0345,68.41);(240.0395,100.0);(241.1066,10.7);(258.6294,3.83);(267.0292,6.04);(268.036,2.92);(269.0319,6.14);(277.4206,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(240.0429,9.61);(268.0382,100.0);(269.0413,9.41);(283.0614,18.42);(284.0645,3.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(268.0378,8.31);(283.0616,100.0);(284.065,9.41)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.66669,1.3);(78.04539,1.4);(81.03346,1.8);(89.03198,1.8);(105.03386,1.8);(109.37037,1.9);(118.04115,1.5);(134.03456,2.6);(135.05084,1.3);(136.12616,1.6);(137.02385,5.01);(141.07123,4.2);(145.02544,1.6);(146.06656,1.3);(155.0603,1.3);(157.05536,1.8);(158.07657,3.1);(162.02109,1.3);(165.91292,1.2);(186.07387,3.8);(197.06265,2.9);(212.06114,1.7);(213.04752,1.6);(214.05919,9.21);(225.05098,1.7);(229.06969,1.3);(230.08287,1.4);(241.04631,2.1);(242.06584,2.9);(253.05336,1.4);(257.0784,1.8);(269.02951,1.3);(270.05252,8.01);(285.0752,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(120.01791,5.71);(135.0076,9.81);(158.03508,5.71);(160.01445,7.01);(195.03552,7.31);(211.03381,5.71);(212.04463,14.31);(239.04207,5.71);(240.04143,5.71);(256.04086,7.01);(268.0383,52.35);(269.04623,13.01);(270.04172,6.01);(283.06161,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(17.03912516,0.0343851561);(31.01838972,0.0063486155);(43.01838972,0.0110307243);(51.0234751,0.0056413798);(55.01838972,0.0967920839);(57.03403978,0.049776726);(67.01838972,0.0013096068);(69.03403978,0.0752116185);(79.01838972,0.048917638);(119.0496898,0.2020162794);(133.0289544,0.0072860187);(135.0446045,0.0370227695);(137.023869,0.0015358855);(151.0395191,0.0051392438);(167.0344337,0.6995827596);(207.0657338,0.0110176071);(213.0551691,0.0011020566);(215.0344337,0.0050015801);(217.0500838,0.098955898);(225.0551691,0.0050233437);(227.0344337,0.0018650308);(229.0500838,0.0355333342);(231.0657338,0.1139101828);(239.0344337,0.0036178408);(241.0500838,0.0064283272);(243.0657338,0.1649007237);(255.0657338,1.362082091);(257.0449984,0.1607193306);(259.0606485,0.1156249096);(269.0449984,0.4914745705);(285.0762985,96.14074667)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(31.01838972,0.0261010657);(43.01838972,0.0338373859);(51.0234751,0.4381428544);(55.01838972,0.1628299933);(57.03403978,0.0870359941);(67.01838972,0.0314026104);(69.03403978,0.2128829513);(79.01838972,0.3905374744);(119.0496898,0.4149949052);(133.0289544,0.0539563288);(135.0446045,0.1805999245);(151.0395191,0.0641182305);(153.0551691,0.0254869945);(167.0344337,1.203936754);(193.0500838,0.0263305425);(207.0657338,0.241949765);(213.0551691,0.051532954);(215.0344337,0.0789972052);(217.0500838,0.4512666719);(225.0551691,0.1324400495);(227.0344337,0.0370230923);(229.0500838,0.1790748263);(231.0657338,0.78824991);(239.0344337,0.0497493216);(241.0500838,0.0246499685);(243.0657338,3.507216606);(255.0657338,5.022502861);(257.0449984,0.538985308);(259.0606485,0.2788288498);(269.0449984,1.294158);(285.0762985,83.9711806)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,3.873083248);(55.01838972,1.13950288);(57.03403978,0.8863861177);(68.99765427,1.042078628);(71.01330434,2.322932066);(77.03912516,1.132976633);(79.01838972,3.067559608);(89.03912516,3.453369033);(105.0340398,0.756626766);(119.0496898,6.822087151);(121.0289544,1.035644663);(125.023869,3.448579464);(133.0289544,1.041256724);(135.0446045,2.241493653);(137.023869,3.559126641);(151.0395191,2.092512147);(167.0344337,11.81605227);(199.0395191,0.7286922311);(201.0187836,1.418863505);(213.0551691,2.588843703);(215.0344337,1.61968484);(217.0500838,1.116433823);(225.0551691,5.139989696);(227.0344337,2.924301826);(229.0500838,1.140345139);(239.0344337,6.009940284);(243.0657338,2.588289906);(255.0657338,10.30739519);(257.0449984,0.7046515802);(269.0449984,9.410980771);(285.0762985,4.570319811)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0671926564);(29.00273965,0.0288498336);(41.00273965,0.0738902817);(55.01838972,0.0866557683);(67.01838972,0.0495228938);(77.00273965,0.0048907318);(95.01330434,0.0003418299);(117.0340398,0.2696835772);(131.0133043,0.0753768833);(133.0289544,0.1999889561);(135.008219,0.0008185777);(149.023869,0.0022505818);(151.0395191,0.0001496979);(165.0187836,0.6439180416);(191.0344337,0.0002660787);(205.0500838,0.0108334732);(211.0395191,0.0003267507);(213.0187836,0.0018756007);(215.0344337,0.0280271259);(223.0395191,0.0013400701);(225.0187836,0.0003922054);(227.0344337,0.0173223306);(229.0500838,0.0201392866);(237.0187836,0.0015946525);(241.0136983,0.0001504351);(241.0500838,0.0483559089);(253.0500838,0.5002726955);(255.0293483,0.0123413269);(257.0449984,0.084385606);(267.0293483,1.009965916);(283.0606485,96.75888023)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.1949688765);(29.00273965,0.0622124811);(41.00273965,0.0784919706);(55.01838972,0.154417155);(67.01838972,0.0768921488);(77.00273965,0.0274328929);(117.0340398,0.649973603);(131.0133043,0.0214591886);(133.0289544,0.1194558911);(135.008219,0.0754622652);(149.023869,0.2653271798);(151.0395191,0.1582196508);(165.0187836,1.534453913);(191.0344337,0.0196480803);(197.023869,0.0149299126);(205.0500838,0.0450073);(211.0395191,0.07792754);(213.0187836,0.0454539457);(215.0344337,0.13733983);(223.0395191,0.0508754568);(225.0187836,0.0625179382);(227.0344337,0.739605403);(229.0500838,0.1100113418);(237.0187836,0.0408905679);(241.0136983,0.0127755328);(241.0500838,1.882880708);(253.0500838,3.547768952);(255.0293483,0.1726854149);(257.0449984,0.3241122645);(267.0293483,13.66839083);(283.0606485,75.62841176)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,1.826843289);(55.01838972,1.125181397);(67.01838972,0.8778074101);(77.00273965,0.6161022062);(79.01838972,1.239344962);(87.0234751,0.5892823395);(109.0289544,0.8918512355);(117.0340398,10.22926739);(119.0133043,0.7436297054);(123.008219,1.925697278);(131.0133043,1.401325151);(133.0289544,1.317791281);(135.008219,4.153396656);(149.023869,1.332384383);(161.023869,1.493528676);(165.0187836,4.079087715);(197.023869,0.6852939617);(199.0031336,0.6549787472);(199.0395191,0.7488928762);(211.0395191,7.191746434);(213.0187836,0.8271639625);(223.0395191,1.02427249);(225.0187836,1.635506807);(227.0344337,1.782168977);(237.0187836,1.607973551);(238.9980482,0.6332364256);(241.0500838,9.55957253);(253.0500838,6.771711031);(257.0449984,0.7043661514);(267.0293483,29.20481334);(283.0606485,3.125781636)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(239.03498,11.75);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(255.06628,10.73);(267.0299,28.01);(267.0299,28.01);(267.0299,28.01);(267.0299,28.01);(267.0299,28.01);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(79.01894,6.91);(79.01894,6.91);(95.01385,26.34);(95.01385,26.34);(105.03459,28.51);(117.03459,47.77);(117.03459,47.77);(117.03459,47.77);(119.05024,20.41);(119.05024,20.41);(119.05024,20.41);(119.05024,20.41);(133.0295,33.7);(135.04515,8.04);(185.02442,12.73);(185.02442,12.73);(185.02442,12.73);(187.04007,35.83);(187.04007,35.83);(187.04007,35.83);(187.04007,35.83);(187.04007,35.83);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(211.04007,31.2);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(213.05572,14.48);(227.03498,7.8);(227.03498,7.8);(227.03498,7.8);(227.03498,7.8);(227.03498,7.8);(237.01933,7.82);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(239.03498,100.0);(241.05063,12.52);(241.05063,12.52);(241.05063,12.52);(241.05063,12.52);(241.05063,12.52);(253.05063,8.13);(253.05063,8.13);(253.05063,8.13);(253.05063,8.13);(253.05063,8.13);(253.05063,8.13);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(255.06628,9.88);(267.0299,7.36);(267.0299,7.36);(267.0299,7.36);(267.0299,7.36);(267.0299,7.36)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(257.08084,6.87);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(57.03349,12.97);(79.01784,13.03);(79.01784,13.03);(83.01276,33.78);(91.05423,16.84);(105.03349,80.11);(105.03349,80.11);(107.04914,20.74);(107.04914,20.74);(117.03349,42.12);(119.04914,54.94);(119.04914,54.94);(119.04914,54.94);(123.04406,21.47);(123.04406,21.47);(123.04406,21.47);(133.02841,16.72);(135.04406,20.32);(135.04406,20.32);(135.04406,20.32);(139.03897,31.56);(163.03897,18.36);(163.03897,18.36);(163.03897,18.36);(163.03897,18.36);(165.01824,21.22);(165.01824,21.22);(165.01824,21.22);(167.03389,34.65);(167.03389,34.65);(167.03389,34.65);(179.03389,16.94);(179.03389,16.94);(179.03389,16.94);(185.05971,24.26);(185.05971,24.26);(185.05971,24.26);(201.05462,16.46);(201.05462,16.46);(201.05462,16.46);(201.05462,16.46);(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);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(215.07027,24.67);(217.04954,16.3);(223.03897,19.94);(223.03897,19.94);(229.04954,13.87);(229.04954,13.87);(229.04954,13.87);(239.03389,21.26);(239.03389,21.26);(239.03389,21.26);(239.03389,21.26);(239.03389,21.26);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(241.04954,84.68);(243.06519,39.15);(243.06519,39.15);(243.06519,39.15);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(255.06519,90.51);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(257.08084,26.76);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(267.06519,36.84);(283.0601,39.23);(283.0601,39.23)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

	Food Phytochemical	Food Source	Food Source Group
	6''-O-Acetylglycitin	Soy bean	Soy and soy products		Show
	6''-O-Malonylglycitin	Soy bean	Soy and soy products		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
Glycitein	Glycitein	human	plasma, serum, urine	unchanged	5h-8h	200-500 nmol/L	50-70%	C₁₆H₁₂O₅	284.068473486	Publications
6''-O-Acetylglycitin	Glycitein	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₂O₅	284.068473486
6''-O-Malonylglycitin	Glycitein	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₂O₅	284.068473486
Glycitin	Glycitein	human	urine	Not Available	Not Available	Not Available	Not Available	C₁₆H₁₂O₅	284.068473486

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Glycitein