PhytoHub: Showing entry for Licoisoflavone A

Licoisoflavone A

Identification

PhytoHub ID

PHUB000229

Name

Licoisoflavone A

Systematic Name

Not Available

Synonyms

Phaseoluteone

CAS Number

Not Available

Average Mass

354.358

Monoisotopic Mass

354.1103383

Chemical Formula

C₂₀H₁₈O₆

IUPAC Name

3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one

InChI Key

KCUZCRLRQVRBBV-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3

SMILES

CC(C)=CCC1=C(O)C(=CC=C1O)C1=COC2=C(C(O)=CC(O)=C2)C1=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.93e-02 g/l
LogS (ALOGPS): -4.26
LogP (ALOGPS): 3.29
Hydrogen Acceptors: 6
Hydrogen Donors: 4
Rotatable Bond Count: 3
Polar Surface Area: 107.22000000000001
Refractivity: 97.9066
Polarizability: 36.43910245626071
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -5.347046407487893
pKa (strongest acidic): 6.535585812393612
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 28620
PubChem: 5281789
Chemistry Dashboard: DTXSID10216256
KNApSAcK: C00002542
MetaboLights: MTBLC28620
FooDB (Compounds): FDB012398
PeakForestCompound: 000202

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", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Resorcinols", "Vinylogous acids"]
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", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone", "Resorcinol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,0.6853042828);(41.03857442,4.210164405);(42.04639902,0.9134404051);(43.05422362,2.225082101);(55.05422362,2.846272619);(126.0311413,0.6304004567);(189.0909994,0.7415044808);(202.098824,0.8575620423);(284.1043014,0.838936331);(286.047182,0.7201248545);(297.0393574,1.471603725);(298.047182,0.847813931);(299.0550066,2.482542596);(308.0679171,0.6649355272);(310.0835663,0.9650429461);(311.0550066,2.545393062);(312.0628312,0.6569164391);(313.0706558,1.815424344);(322.0835663,1.537631288);(323.0913909,1.634068367);(324.0992155,2.182052967);(325.1070401,2.770019744);(326.1148647,4.014254722);(327.1182639,0.8721343281);(336.0992155,1.861444641);(337.1070401,1.656374675);(338.0784804,1.246092041);(339.086305,4.764027222);(340.0896996,1.034671322);(353.1019542,1.067114389);(354.1097788,1.787994166)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(41.03857442,1.907653072);(43.05422362,1.008199276);(55.05422362,1.300286);(73.04679982,2.917905008);(252.0996256,0.5461258484);(268.0945397,0.6177306207);(524.1864885,0.6366120036);(526.2021377,0.7772956528);(528.2177869,0.7011103879);(539.2099623,0.7002870278);(540.2177869,1.053078692);(541.2256115,1.461540632);(542.2277929,0.6918318895);(553.2256115,0.5613228845);(568.212701,0.6238246994);(569.2205256,2.525809029);(570.2227357,1.224832435);(570.2283502,2.642696321);(571.2216123,0.5682914661);(571.2305615,1.281910677);(571.2361748,1.217028268);(572.2294393,0.5947826426);(572.2383874,0.5905347604);(587.2131018,0.8527182472);(599.2131018,0.6577586107);(614.2729599,0.8331068625);(626.2365756,0.9339788133);(627.2444002,17.86963171);(628.2464233,9.986426357);(629.2452481,5.285431477);(630.2458509,1.795751221)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(39.02292522,0.6853042828);(41.03857442,4.210164405);(42.04639902,0.9134404051);(43.05422362,2.225082101);(55.05422362,2.846272619);(126.0311413,0.6304004567);(189.0909994,0.7415044808);(202.098824,0.8575620423);(284.1043014,0.838936331);(286.047182,0.7201248545);(297.0393574,1.471603725);(298.047182,0.847813931);(299.0550066,2.482542596);(308.0679171,0.6649355272);(310.0835663,0.9650429461);(311.0550066,2.545393062);(312.0628312,0.6569164391);(313.0706558,1.815424344);(322.0835663,1.537631288);(323.0913909,1.634068367);(324.0992155,2.182052967);(325.1070401,2.770019744);(326.1148647,4.014254722);(327.1182639,0.8721343281);(336.0992155,1.861444641);(337.1070401,1.656374675);(338.0784804,1.246092041);(339.086305,4.764027222);(340.0896996,1.034671322);(353.1019542,1.067114389);(354.1097788,1.787994166)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(39.02292522,0.6853042828);(41.03857442,4.210164405);(42.04639902,0.9134404051);(43.05422362,2.225082101);(55.05422362,2.846272619);(126.0311413,0.6304004567);(189.0909994,0.7415044808);(202.098824,0.8575620423);(284.1043014,0.838936331);(286.047182,0.7201248545);(297.0393574,1.471603725);(298.047182,0.847813931);(299.0550066,2.482542596);(308.0679171,0.6649355272);(310.0835663,0.9650429461);(311.0550066,2.545393062);(312.0628312,0.6569164391);(313.0706558,1.815424344);(322.0835663,1.537631288);(323.0913909,1.634068367);(324.0992155,2.182052967);(325.1070401,2.770019744);(326.1148647,4.014254722);(327.1182639,0.8721343281);(336.0992155,1.861444641);(337.1070401,1.656374675);(338.0784804,1.246092041);(339.086305,4.764027222);(340.0896996,1.034671322);(353.1019542,1.067114389);(354.1097788,1.787994166)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.01525,3.81);(111.00914,1.85);(134.57973,2.5);(153.01805,4.9);(154.02281,2.5);(159.04544,2.5);(161.01543,2.72);(165.01277,2.29);(179.03616,3.37);(181.05038,1.96);(188.0428,2.94);(191.10382,1.96);(195.0854,4.35);(197.0596,2.5);(212.08316,3.26);(229.12903,2.61);(230.04512,2.39);(257.0434,9.47);(258.052,2.18);(271.05225,2.5);(279.12018,1.96);(299.05182,42.76);(300.05386,6.86);(301.11209,2.39);(327.11407,3.16);(339.16013,1.96);(353.14157,2.39);(354.10315,1.96);(355.11642,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(147.04189,2.11);(152.05571,1.99);(153.0164,28.57);(154.02786,5.27);(201.0576,2.11);(221.09622,2.69);(226.45302,1.99);(243.06517,2.46);(287.05948,2.11);(296.06277,2.34);(297.04926,1.99);(299.05667,83.61);(300.06821,8.31);(301.05841,2.34);(354.17038,2.11);(355.11713,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.01144,7.29);(159.08212,8.91);(173.08977,8.1);(233.08592,9.72);(242.05197,8.1);(266.11154,9.72);(284.03757,8.1);(352.09775,7.29);(353.10126,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(147.04189,2.1);(152.05571,2.0);(153.0164,28.53);(154.02786,5.31);(201.0576,2.1);(221.09622,2.7);(226.45302,2.0);(243.06517,2.5);(287.05948,2.1);(296.06277,2.3);(297.04926,2.0);(299.05667,83.58);(300.06821,8.31);(301.05841,2.3);(354.17038,2.1);(355.11713,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.01525,3.8);(111.00914,1.8);(134.57973,2.5);(153.01805,4.9);(154.02281,2.5);(159.04544,2.5);(161.01543,2.7);(165.01277,2.3);(179.03616,3.4);(181.05038,2.0);(188.0428,2.9);(191.10382,2.0);(195.0854,4.3);(197.0596,2.5);(212.08316,3.3);(229.12903,2.6);(230.04512,2.4);(257.0434,9.51);(258.052,2.2);(271.05225,2.5);(279.12018,2.0);(299.05182,42.74);(300.05386,6.81);(301.11209,2.4);(327.11407,3.2);(339.16013,2.0);(353.14157,2.4);(354.10315,2.0);(355.11642,100.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(107.01144,0.07307307);(159.08212,0.08908909);(173.08977,0.08108108);(233.08592,0.0970971);(242.05197,0.08108108);(266.11154,0.0970971);(284.03757,0.08108108);(352.09775,0.07307307);(353.10126,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(79.01525,0.03803804);(111.00914,0.01801802);(134.57973,0.02502503);(153.01805,0.04904905);(153.02367,0.01801802);(154.02281,0.02502503);(159.04544,0.02502503);(161.01543,0.02702703);(165.01277,0.02302302);(165.05547,0.02002002);(179.03616,0.03403403);(179.04588,0.02002002);(181.05038,0.02002002);(188.0428,0.02902903);(191.10382,0.02002002);(195.0854,0.04304304);(197.0596,0.02502503);(212.08316,0.03303303);(229.08397,0.02202202);(229.12903,0.02602603);(230.04512,0.02402402);(257.0434,0.0950951);(257.08984,0.03203203);(258.04306,0.02102102);(258.052,0.02202202);(271.05225,0.02502503);(279.12018,0.02002002);(299.02484,0.02002002);(299.05182,0.42742743);(299.0654,0.14214214);(299.08444,0.02502503);(300.05386,0.06806807);(300.07175,0.02202202);(301.06192,0.02202202);(301.11209,0.02402402);(327.11407,0.03203203);(339.16013,0.02002002);(353.14157,0.02402402);(354.10315,0.02002002);(355.11642,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.04189,0.02102102);(152.05571,0.02002002);(153.0164,0.28528529);(153.03125,0.04104104);(154.02786,0.05305305);(201.0576,0.02102102);(221.09622,0.02702703);(226.45302,0.02002002);(243.06517,0.02502503);(287.05948,0.02102102);(296.06277,0.02302302);(297.04926,0.02002002);(299.02396,0.02502503);(299.05667,0.83583584);(300.05591,0.05605606);(300.06821,0.08308308);(301.05841,0.02302302);(354.17038,0.02102102);(354.88815,0.02202202);(354.98819,0.02602603);(355.11713,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(107.01144,0.07287449);(159.08212,0.08906883);(173.08977,0.08097166);(233.08592,0.09716599);(242.05197,0.08097166);(266.11154,0.09716599);(284.03757,0.08097166);(352.09775,0.07287449);(353.10126,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(107.011,0.073);(159.082,0.089);(173.09,0.081);(233.086,0.097);(242.052,0.081);(266.112,0.097);(284.038,0.081);(352.098,0.073);(353.101,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(79.01525,0.03808487);(111.00914,0.01849837);(134.57973,0.0250272);(153.01805,0.04896627);(153.02367,0.01849837);(154.02281,0.0250272);(159.04544,0.0250272);(161.01543,0.02720348);(165.01277,0.02285092);(165.05547,0.01958651);(179.03616,0.03373232);(179.04588,0.01958651);(181.05038,0.01958651);(188.0428,0.02937976);(191.10382,0.01958651);(195.0854,0.04352557);(197.0596,0.0250272);(212.08316,0.03264418);(229.08397,0.02176279);(229.12903,0.02611534);(230.04512,0.02393906);(257.0434,0.09466812);(257.08984,0.03155604);(258.04306,0.02067465);(258.052,0.02176279);(271.05225,0.0250272);(279.12018,0.01958651);(299.02484,0.01958651);(299.05182,0.42763874);(299.0654,0.14254625);(299.08444,0.0250272);(300.05386,0.06855277);(300.07175,0.02176279);(301.06192,0.02176279);(301.11209,0.02393906);(327.11407,0.03155604);(339.16013,0.01958651);(353.14157,0.02393906);(354.10315,0.01958651);(355.11642,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(79.015,0.038);(111.009,0.018);(134.58,0.025);(153.018,0.049);(153.024,0.018);(154.023,0.025);(159.045,0.025);(161.015,0.027);(165.013,0.023);(165.055,0.02);(179.036,0.034);(179.046,0.02);(181.05,0.02);(188.043,0.029);(191.104,0.02);(195.085,0.044);(197.06,0.025);(212.083,0.033);(229.084,0.022);(229.129,0.026);(230.045,0.024);(257.043,0.095);(257.09,0.032);(258.043,0.021);(258.052,0.022);(271.052,0.025);(279.12,0.02);(299.025,0.02);(299.052,0.428);(299.065,0.143);(299.084,0.025);(300.054,0.069);(300.072,0.022);(301.062,0.022);(301.112,0.024);(327.114,0.032);(339.16,0.02);(353.142,0.024);(354.103,0.02);(355.116,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.04189,0.02107728);(152.05571,0.01990632);(153.0164,0.28571429);(153.03125,0.04098361);(154.02786,0.05269321);(201.0576,0.02107728);(221.09622,0.02693208);(226.45302,0.01990632);(243.06517,0.02459016);(287.05948,0.02107728);(296.06277,0.0234192);(297.04926,0.01990632);(299.02396,0.02459016);(299.05667,0.83606557);(300.05591,0.05620609);(300.06821,0.08313817);(301.05841,0.0234192);(354.17038,0.02107728);(354.88815,0.02224824);(354.98819,0.02576112);(355.11713,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.042,0.021);(152.056,0.02);(153.016,0.286);(153.031,0.041);(154.028,0.053);(201.058,0.021);(221.096,0.027);(226.453,0.02);(243.065,0.025);(287.059,0.021);(296.063,0.023);(297.049,0.02);(299.024,0.025);(299.057,0.836);(300.056,0.056);(300.068,0.083);(301.058,0.023);(354.17,0.021);(354.888,0.022);(354.988,0.026);(355.117,1.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.4070007599);(43.05477522,0.5650264054);(57.07042529,0.9633386992);(67.05477522,0.2635548923);(69.07042529,2.562901798);(109.0653399,0.1857291576);(153.0187836,0.5026904246);(167.0344337,0.2280406316);(175.0759046,0.612667189);(177.0915547,2.707211695);(179.0344337,1.773941595);(199.0759046,0.5301280064);(201.0915547,0.1871915334);(287.0555631,0.6862088537);(295.0606485,0.3950881762);(297.0762985,0.4336681175);(299.0555631,4.263097014);(311.0555631,5.61574707);(313.0712131,4.800663015);(315.0868632,1.128250039);(319.097034,0.436719892);(319.097034,0.1536857056);(323.0919486,0.3228358284);(325.1075986,0.2794968763);(327.0868632,0.1579449083);(337.1075986,12.73267745);(337.1075986,1.362157613);(339.0868632,0.1875236237);(339.0868632,0.1921102253);(339.0868632,0.5743778831);(355.1181633,54.78832492)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,1.383298252);(43.05477522,0.5192744914);(57.07042529,1.729890711);(67.05477522,1.549685449);(69.07042529,11.58853024);(135.0446045,0.7182142324);(137.023869,0.5633114821);(153.0187836,0.6464021821);(159.08099,0.5171187977);(175.0759046,6.044018752);(177.0915547,8.009279802);(179.0344337,1.130511649);(243.0293483,0.6931471919);(245.0449984,0.6718174153);(281.0449984,0.7747803154);(287.0555631,0.8526197897);(297.0762985,1.240762293);(299.0555631,17.44361314);(311.0555631,3.6746651);(311.0919486,1.119105863);(313.0712131,2.060106231);(313.1075986,0.6852999823);(315.0868632,2.274937897);(319.097034,1.389279973);(323.0919486,1.692590259);(325.1075986,0.5765575107);(325.1075986,3.287788888);(337.1075986,8.608772463);(337.1075986,1.137716325);(339.0868632,0.5755389749);(355.1181633,16.84136435)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,3.232581645);(51.0234751,2.784307841);(53.03912516,5.459884001);(57.07042529,2.707473769);(67.05477522,9.009046982);(68.99765427,2.500940926);(69.07042529,5.707255366);(81.07042529,1.547947327);(83.08607535,1.898370595);(107.0496898,1.792292609);(115.0547752,1.240028687);(133.0653399,4.305870146);(137.023869,4.321366717);(147.0446045,2.908896352);(153.0187836,7.412271602);(159.0446045,1.626008321);(159.08099,1.484261552);(161.023869,2.363273952);(179.0344337,2.849385974);(199.0759046,5.322416976);(201.0915547,1.399148215);(243.0293483,2.960472273);(245.0449984,3.23656395);(257.0449984,1.527613208);(269.0449984,2.46993605);(281.0449984,3.20451808);(299.0555631,5.506217231);(319.097034,2.574363922);(321.0762985,2.251660784);(325.1075986,1.386674912);(337.1075986,3.008950034)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(55.05477522,0.1408624846);(79.05477522,0.1963215974);(81.07042529,0.5592896345);(83.08607535,0.1212782675);(109.0653399,0.1926243511);(125.023869,0.1597358383);(151.0031336,0.5655077794);(159.008219,0.2032245305);(161.023869,0.0997898742);(175.0759046,0.2240617328);(177.0187836,8.208591537);(179.0344337,0.2233602944);(201.0915547,0.2296791952);(215.0344337,0.6404139267);(217.0864693,0.1712661891);(243.0293483,0.2429730679);(283.097034,0.2141529242);(285.039913,1.369920623);(309.039913,0.2215678643);(309.0762985,0.2058357048);(311.0555631,0.3058029276);(311.0919486,0.1211609953);(311.0919486,0.3160868476);(313.0712131,0.4021431188);(321.0762985,0.4274609271);(323.0919486,0.5920019707);(327.0868632,0.2872359524);(335.0919486,3.322215186);(335.0919486,1.955721304);(337.0712131,0.1127547357);(353.1025133,77.96695862)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(81.07042529,0.47500907);(109.0289544,0.3058039402);(125.023869,0.7052970713);(135.008219,1.070682321);(151.0031336,0.9466200465);(159.008219,2.201123718);(161.023869,0.6033508241);(173.0602545,1.598908618);(175.0759046,2.361654164);(177.0187836,37.02697598);(179.0344337,1.311767793);(201.0915547,0.3223780462);(215.0344337,0.3791264289);(243.0293483,0.4690434064);(267.0293483,0.332315133);(283.097034,0.5789474475);(285.039913,5.83659496);(309.039913,0.3549928338);(309.0762985,1.230060475);(311.0555631,0.8995773413);(311.0919486,0.6640863909);(311.0919486,1.246110374);(313.0712131,0.8843498207);(321.0762985,0.9246062824);(323.0919486,0.3244988381);(323.0919486,2.594112329);(325.0712131,0.4162814761);(327.0868632,0.3553768518);(335.0919486,1.870480107);(335.0919486,2.214209339);(353.1025133,29.49565857)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(39.0234751,1.443588902);(41.00273965,5.785614083);(55.05477522,1.825322519);(65.03912516,1.174607653);(81.07042529,2.649902733);(83.01330434,3.087158148);(107.0133043,3.220243918);(109.0289544,5.988134642);(125.023869,1.530177223);(133.0289544,2.475189179);(135.008219,6.758166456);(151.0031336,6.701951392);(159.008219,1.555033176);(159.0446045,3.096462587);(161.023869,1.74227248);(173.0602545,12.22283564);(175.0759046,4.249707228);(177.0187836,7.828505082);(185.0602545,1.066757408);(201.0915547,1.682029022);(215.0344337,3.396181885);(217.0136983,1.835511904);(243.0293483,2.542456397);(269.0813839,1.401088247);(285.039913,2.455908928);(297.039913,1.160708239);(309.0762985,2.793880694);(311.0919486,1.730299767);(321.0762985,2.363928886);(323.0919486,2.343597696);(335.0919486,1.892777891)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(271.0601,24.34);(271.0601,24.34);(271.0601,24.34);(271.0601,24.34);(271.0601,24.34);(271.0601,24.34);(271.0601,24.34);(281.04445,4.47);(281.04445,4.47);(281.04445,4.47);(281.04445,4.47);(281.04445,4.47);(281.04445,4.47);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(297.03936,9.53);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0);(299.05501,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(81.06988,18.42);(111.04406,31.51);(111.04406,31.51);(111.04406,31.51);(137.02332,31.35);(137.02332,31.35);(137.02332,31.35);(153.01824,23.43);(163.03897,22.35);(163.03897,22.35);(163.03897,22.35);(177.01824,15.46);(179.03389,17.58);(179.03389,17.58);(179.03389,17.58);(179.03389,17.58);(179.03389,17.58);(179.03389,17.58);(179.03389,17.58);(191.03389,13.83);(203.03389,21.68);(215.03389,51.75);(215.03389,51.75);(217.04954,21.95);(229.04954,34.59);(229.04954,34.59);(241.01315,17.4);(241.01315,17.4);(241.01315,17.4);(243.0288,14.53);(243.0288,14.53);(243.0288,14.53);(245.04445,90.32);(245.04445,90.32);(245.04445,90.32);(247.0601,36.15);(247.0601,36.15);(247.0601,36.15);(255.0288,34.36);(255.0288,34.36);(255.0288,34.36);(257.04445,16.39);(257.04445,16.39);(257.04445,16.39);(257.04445,16.39);(267.0288,14.27);(267.0288,14.27);(269.04445,39.69);(269.04445,39.69);(269.04445,39.69);(269.04445,39.69);(269.04445,39.69);(271.0601,74.71);(271.0601,74.71);(271.0601,74.71);(271.0601,74.71);(271.0601,74.71);(271.0601,74.71);(271.0601,74.71);(275.05501,18.63);(281.04445,100.0);(281.04445,100.0);(281.04445,100.0);(281.04445,100.0);(281.04445,100.0);(281.04445,100.0);(285.07575,35.14);(285.07575,35.14);(285.07575,35.14);(285.07575,35.14);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(297.03936,55.83);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(299.05501,22.48);(311.05501,14.93);(311.05501,14.93);(311.05501,14.93);(311.05501,14.93);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(313.07066,26.02);(323.0914,17.75);(323.0914,17.75);(323.0914,17.75);(323.0914,17.75);(325.10705,24.09);(325.10705,24.09);(325.10705,24.09);(325.10705,24.09);(325.10705,24.09)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(125.02442,6.63);(125.02442,6.63);(175.07645,5.91);(175.07645,5.91);(283.09758,12.51);(283.09758,12.51);(283.09758,12.51);(283.09758,12.51);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(285.04046,28.52);(299.0925,9.78);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(309.04046,6.58);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.05611,7.77);(311.0925,22.75);(311.0925,22.75);(311.0925,22.75);(311.0925,22.75);(311.0925,22.75);(311.0925,22.75);(311.0925,22.75);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(313.07176,17.37);(321.07685,6.12);(321.07685,6.12);(321.07685,6.12);(321.07685,6.12);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(325.10815,13.75);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(335.0925,13.15);(351.08741,17.45);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0);(353.10306,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,69.07);(81.07097,47.05);(93.07097,44.82);(109.0295,59.43);(109.0295,59.43);(125.02442,71.93);(125.02442,71.93);(133.0295,28.51);(133.0295,28.51);(133.0295,28.51);(159.04515,57.28);(199.07645,35.88);(199.07645,35.88);(199.07645,35.88);(199.07645,35.88);(199.07645,35.88);(201.01933,73.25);(215.03498,29.4);(227.03498,35.32);(241.05063,30.23);(241.08702,27.01);(241.08702,27.01);(241.08702,27.01);(243.0299,43.78);(243.0299,43.78);(243.0299,43.78);(267.0299,28.43);(267.0299,28.43);(267.06628,47.56);(267.06628,47.56);(267.06628,47.56);(269.04555,78.42);(269.04555,78.42);(269.04555,78.42);(269.04555,78.42);(269.08193,31.8);(269.08193,31.8);(269.08193,31.8);(269.08193,31.8);(269.08193,31.8);(269.08193,31.8);(269.08193,31.8);(281.08193,37.38);(283.0612,35.29);(283.0612,35.29);(283.0612,35.29);(283.0612,35.29);(283.09758,37.14);(283.09758,37.14);(283.09758,37.14);(283.09758,37.14);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(285.04046,23.21);(295.0612,54.97);(295.0612,54.97);(295.0612,54.97);(295.0612,54.97);(309.07685,35.88);(309.07685,35.88);(309.07685,35.88);(309.07685,35.88);(309.07685,35.88);(309.07685,35.88);(311.0925,100.0);(311.0925,100.0);(311.0925,100.0);(311.0925,100.0);(311.0925,100.0);(311.0925,100.0);(311.0925,100.0);(321.07685,27.82);(321.07685,27.82);(321.07685,27.82);(321.07685,27.82);(323.0925,45.86);(323.0925,45.86);(323.0925,45.86);(323.0925,45.86);(323.0925,45.86);(323.0925,45.86);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(325.10815,27.65);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(335.0925,65.83);(337.07176,32.03);(337.07176,32.03);(337.07176,32.03);(337.07176,32.03);(337.07176,32.03);(337.07176,32.03)

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

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Showing entry for Licoisoflavone A