PhytoHub: Showing entry for Daidzin

Daidzin

Identification

PhytoHub ID

PHUB000223

Name

Daidzin

Systematic Name

Not Available

Synonyms

7,4'-Dihydroxyisoflavone 7-O-glucoside
Daidzein 7-O-glucoside

CAS Number

Not Available

Average Mass

416.382

Monoisotopic Mass

416.110732224

Chemical Formula

C₂₁H₂₀O₉

IUPAC Name

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

KYQZWONCHDNPDP-QNDFHXLGSA-N

InChI Identifier

InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.61e-01 g/l
LogS (ALOGPS): -2.80
LogP (ALOGPS): 0.71
Hydrogen Acceptors: 9
Hydrogen Donors: 5
Rotatable Bond Count: 4
Polar Surface Area: 145.91
Refractivity: 101.8464
Polarizability: 41.23592488377893
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.981092343722586
pKa (strongest acidic): 8.962957785279055
Number of Rings: 4
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 42202
PubChem: 107971
Phenol-Explorer: 403
FooDB (Compounds): FDB012225
PeakForestCompound: 000196

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", "Acetals", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Isoflavones", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Pyranones and derivatives", "Secondary alcohols"]
External Descriptor Annotations: ["Isoflavonoids", "beta-D-glucoside", "glycosyloxyisoflavone", "hydroxyisoflavone", "isoflavones", "monosaccharide derivative"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "Acetal", "Alcohol", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "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"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(31.01783932,1.778198188);(41.00219012,0.8231370106);(44.02566392,1.018602784);(59.01275342,1.358116924);(60.02057802,1.072313427);(73.02840262,2.873090161);(74.03622722,1.535322985);(89.02331672,2.255372526);(90.03114132,0.8835362551);(102.0311413,1.510166456);(103.0389659,3.44685622);(104.0467905,1.971896746);(119.03388,1.423905313);(120.0417046,1.055819184);(133.0495292,2.22552654);(134.0573538,1.590432659);(163.0600925,2.259544857);(226.0624397,1.19523314);(254.0573538,2.152759275);(255.0651784,1.030044075);(325.0706558,1.60505566);(326.0784804,1.334133966);(355.0812191,2.089218115);(356.0890437,1.217311339);(384.0839578,0.895740127);(385.0917824,3.241267425);(386.099607,1.910359697);(387.1074316,1.163667632);(388.1152562,1.555853011);(398.099607,3.065800523);(399.1074316,3.284398411)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(31.01783932,0.8994952559);(59.01275342,1.05953154);(73.04679982,2.623322042);(89.04171392,1.354661659);(103.0573631,3.196202861);(131.0522772,1.764584759);(132.0601018,0.9097811952);(145.0679264,1.006629442);(146.075751,0.7949541159);(175.0784897,1.374202647);(191.0734038,0.9000047526);(277.1285768,0.7338302606);(278.1364014,0.99905258);(307.1391401,3.320715296);(308.1409632,0.8020214588);(311.0734038,1.143909817);(325.089053,0.9158887589);(326.0968776,1.034743647);(469.1497034,1.033632914);(470.157528,0.8868545038);(499.1602667,0.8532179424);(529.17083,0.9409762083);(543.1864792,0.8122639424);(559.1813933,0.8640497386);(560.1892179,0.7372740733);(604.2338276,0.8309395641);(614.2181784,1.081015824);(615.226003,1.284976672);(617.2052679,6.780507222);(618.2074826,3.295675631);(619.2064508,1.570788693)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(31.01783932,1.778198188);(41.00219012,0.8231370106);(44.02566392,1.018602784);(59.01275342,1.358116924);(60.02057802,1.072313427);(73.02840262,2.873090161);(74.03622722,1.535322985);(89.02331672,2.255372526);(90.03114132,0.8835362551);(102.0311413,1.510166456);(103.0389659,3.44685622);(104.0467905,1.971896746);(119.03388,1.423905313);(120.0417046,1.055819184);(133.0495292,2.22552654);(134.0573538,1.590432659);(163.0600925,2.259544857);(226.0624397,1.19523314);(254.0573538,2.152759275);(255.0651784,1.030044075);(325.0706558,1.60505566);(326.0784804,1.334133966);(355.0812191,2.089218115);(356.0890437,1.217311339);(384.0839578,0.895740127);(385.0917824,3.241267425);(386.099607,1.910359697);(387.1074316,1.163667632);(388.1152562,1.555853011);(398.099607,3.065800523);(399.1074316,3.284398411)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(563.142,999.0);(563.6429,22.0);(564.1454,229.0);(565.1477,43.0);(609.1467,160.0);(610.1501,37.0);(611.1495,10.0);(631.1279,58.0);(632.1284,13.0);(666.0199,25.0);(677.1343,37.0);(681.0775,12.0);(699.1091,9.0);(845.2172,34.0);(845.7208,31.0);(846.2188,14.0);(1127.2979,14.0);(1127.7932,11.0);(1128.2943,13.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(563.142,999.0);(563.6429,22.0);(564.1454,229.0);(565.1477,43.0);(609.1467,160.0);(610.1501,37.0);(611.1495,10.0);(631.1279,58.0);(632.1284,13.0);(666.0199,25.0);(677.1343,37.0);(681.0775,12.0);(699.1091,9.0);(845.2172,34.0);(845.7208,31.0);(846.2188,14.0);(1127.2979,14.0);(1127.7932,11.0);(1128.2943,13.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.9879,7.0);(116.93,9.0);(174.9578,5.0);(180.9749,6.0);(242.9454,6.0);(253.0546,50.0);(254.0577,10.0);(415.1092,37.0);(416.1102,8.0);(451.0857,9.0);(461.1143,999.0);(462.1174,187.0);(463.1208,37.0);(529.1016,17.0);(530.1035,6.0);(560.0286,13.0);(666.0266,13.0);(831.2236,8.0);(877.2314,39.0);(878.2323,25.0);(879.2294,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.9879,7.0);(116.93,9.0);(174.9578,5.0);(180.9749,6.0);(242.9454,6.0);(253.0546,50.0);(254.0577,10.0);(415.1092,37.0);(416.1102,8.0);(451.0857,9.0);(461.1143,999.0);(462.1174,187.0);(463.1208,37.0);(529.1016,17.0);(530.1035,6.0);(560.0286,13.0);(666.0266,13.0);(831.2236,8.0);(877.2314,39.0);(878.2323,25.0);(879.2294,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(252.7075,15.0);(253.0545,999.0);(254.0563,138.0);(255.0625,30.0);(415.1092,374.0);(416.1082,41.0);(417.1107,19.0);(461.1144,511.0);(462.1161,101.0);(463.116,16.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(252.7075,15.0);(253.0545,999.0);(254.0563,138.0);(255.0625,30.0);(415.1092,374.0);(416.1082,41.0);(417.1107,19.0);(461.1144,511.0);(462.1161,101.0);(463.116,16.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(224.0567,30.0);(252.0454,255.0);(253.053,999.0);(254.055,103.0);(255.0552,51.0);(415.1084,196.0);(416.1094,61.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(223.0408,187.0);(224.0484,104.0);(251.0345,49.0);(252.0451,932.0);(253.0534,999.0);(254.0548,109.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(112.9879,7.0);(116.93,9.0);(174.9578,5.0);(180.9749,6.0);(242.9454,6.0);(253.0546,50.0);(254.0577,10.0);(415.1092,37.0);(416.1102,8.0);(451.0857,9.0);(461.1143,999.0);(462.1174,187.0);(463.1208,37.0);(529.1016,17.0);(530.1035,6.0);(560.0286,13.0);(666.0266,13.0);(831.2236,8.0);(877.2314,39.0);(878.2323,25.0);(879.2294,6.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(252.0412,28.0);(253.0543,999.0);(254.0572,169.0);(269.2983,19.0);(415.1093,408.0);(416.1085,58.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(252.7075,15.0);(253.0545,999.0);(254.0563,138.0);(255.0625,30.0);(415.1092,374.0);(416.1082,41.0);(417.1107,19.0);(461.1144,511.0);(462.1161,101.0);(463.116,16.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(223.0411,59.0);(224.0489,39.0);(252.0457,825.0);(253.0529,999.0);(254.0564,120.0);(255.057,39.0);(415.1052,87.0);(416.1143,27.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(91.0183,3.062928);(132.0211,8.052336);(135.0079,4.319003);(167.0504,2.413707);(195.0447,18.105919);(196.051,2.057321);(208.0524,4.048598);(223.0391,28.012461);(224.0466,7.546417);(251.0347,16.934579);(252.042,100.0);(253.0497,33.595016);(415.1029,75.277259);(416.1048,5.127726)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(195.0448,2.839347);(208.0526,2.238832);(223.0389,6.841924);(224.0459,4.062715);(251.0349,4.342784);(252.0424,35.420962);(253.0499,100.0);(254.0539,11.348797);(415.1029,41.709622);(416.1071,6.15378);(461.1084,16.219931);(462.1109,2.388316)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(252.0423,8.788153);(253.05,100.0);(254.0531,3.091793);(415.1029,14.300249);(669.1609,16.730726);(831.2136,12.593262)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(132.0538,4.498296);(195.0736,3.833901);(208.1165,4.169506);(209.0986,2.194208);(223.0632,15.136286);(224.0282,8.739353);(224.9222,2.087734);(250.0234,3.156729);(251.054,14.097104);(252.0571,100.0);(253.0063,30.221465);(253.9025,7.248722);(254.8013,2.83816)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(77.053,4.783422);(89.0702,10.294118);(90.1755,3.068627);(91.0519,78.966132);(91.9284,9.474153);(92.9627,6.047237);(104.0122,5.957219);(115.9591,3.519608);(117.0544,11.105169);(118.8483,3.519608);(127.0337,3.158645);(131.0682,3.88057);(132.0579,72.754011);(133.0519,77.290553);(133.8754,12.183601);(135.0351,39.393939);(135.868,5.957219);(141.1102,4.332442);(143.1143,3.708556);(152.085,4.151515);(154.0533,3.88057);(155.0558,5.86631);(160.0209,4.332442);(167.068,10.926916);(168.0514,7.603387);(169.081,18.565062);(169.8922,3.42959);(170.823,3.97148);(179.0358,6.498217);(180.0802,38.663102);(181.0141,11.702317);(182.0468,13.039216);(183.0282,10.650624);(183.9125,3.610517);(184.9803,3.790553);(189.9332,3.42959);(195.0587,44.803922);(196.0448,32.040998);(197.0821,17.424242);(198.0479,5.595365);(206.0547,3.790553);(207.0838,7.672014);(208.077,91.71123);(209.0157,32.361854);(209.9138,11.57754);(210.9216,8.213012);(211.7968,3.339572);(221.2186,3.42959);(222.0843,3.249554);(223.063,100.0);(224.0493,67.45098);(224.9829,20.579323);(225.8784,8.483957);(251.063,9.518717);(252.0654,12.156863);(253.0708,50.846702);(253.8785,8.30303)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(132.0217,10.652297);(135.0087,5.552467);(195.046,16.449234);(223.0403,29.098128);(224.0491,7.538287);(251.0357,17.935337);(252.0435,100.0);(253.0517,28.139535);(267.0679,9.767442);(295.062,6.829268);(415.1029,63.357913)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.021927,15.256926);(253.039175,100.0);(254.046792,0.548262);(267.059364,0.618374);(295.0754,3.789071);(325.091401,0.69673)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.035655,15.509422);(253.037463,100.0);(254.047003,0.880166);(267.047786,0.75605);(295.063647,3.950116);(325.082718,0.743619)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(253.032773,9.09118);(253.750001,0.055282);(339.074398,0.058023);(414.090133,0.09433);(414.500006,0.118492);(414.916673,0.223142);(415.166673,0.322687);(506.416675,0.083335);(576.500011,0.073392);(622.333345,0.124943);(622.583345,0.084885);(623.000012,0.344093);(623.117259,0.441089);(638.250013,0.084969);(651.083346,0.067854);(667.41668,0.122844);(667.66668,0.241896);(667.66668,0.241896);(668.817133,4.008664);(679.333347,0.063343);(690.779206,0.067552);(696.500014,0.048015);(712.833348,0.088066);(754.000016,0.073568);(754.333349,0.046139);(755.333349,0.072342);(784.775873,0.085613);(787.33335,0.109688);(799.250017,0.04913);(799.666684,0.069336);(801.361986,0.052998);(810.916684,0.049467);(813.704613,0.061303);(831.031235,0.051426);(831.416685,0.050138)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(250.666668,0.044507);(252.000001,0.050394);(253.021208,8.281875);(311.000003,0.053565);(325.262166,0.051484);(349.037416,0.071046);(353.166671,0.057875);(381.083338,0.048848);(414.416673,0.042318);(414.604635,0.084757);(415.000006,0.326963);(415.333339,0.281107);(532.166676,0.045365);(539.289267,0.043446);(546.333343,0.072678);(577.416677,0.054429);(614.37954,0.070748);(619.416679,0.044461);(621.779873,0.064217);(622.250012,0.042873);(623.074816,0.307527);(623.864986,0.05954);(655.583346,0.041682);(658.52628,0.065083);(665.200881,0.098192);(667.41668,0.078031);(668.79899,4.07719);(714.083348,0.051237);(723.083348,0.043604);(725.083349,0.064317);(732.500015,0.0492);(742.520155,0.071269);(743.166682,0.054579);(754.750016,0.044814);(755.166683,0.045245);(756.250016,0.077529);(763.500016,0.101423);(770.000017,0.067163);(771.33335,0.067492);(772.83335,0.050064);(784.33335,0.053026);(784.750017,0.072596);(787.243023,0.080244);(799.229759,0.078406);(800.833351,0.073281);(801.250017,0.099248);(811.083351,0.080562);(812.506627,0.097828);(812.960074,0.091339)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(137.024,5.092751);(181.066,4.706157);(199.0762,8.112237);(227.0717,3.650818);(255.0658,100.0);(255.149,19.937646);(256.0689,4.444271);(417.1186,8.579891)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(277.0486,40.246979);(277.1352,6.117381);(439.1005,100.0);(439.2097,11.81782);(440.1049,10.487319)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(137.0258,3.651145);(199.0793,7.832061);(227.0746,4.414504);(255.0698,100.0);(255.1535,14.816794);(256.0734,4.70687)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(137.0247,7.997374);(181.067,5.840446);(199.0772,11.009521);(255.0656,100.0);(417.1185,6.066973)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(255.099033,100.0)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(255.092927,100.0)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(277.033642,100.0);(383.146803,2.663426)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(277.050579,100.0);(383.146582,2.136224)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(293.00417,100.0);(294.013044,1.596127);(353.058393,0.643866);(365.031838,1.649458);(399.089249,1.214915);(423.223559,0.503221);(437.168517,0.741103)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(293.00644,100.0);(293.997218,1.278993);(353.046436,0.587157);(365.043291,1.358245);(399.116982,0.949531);(423.273933,0.694022);(437.25001,0.688542)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(292.999915,100.0);(294.024438,0.677525);(353.015335,0.811364);(365.020715,2.618156);(399.064844,1.055697);(423.241393,0.673055);(436.25001,0.77511);(436.583343,0.541368);(437.125414,0.942257)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(277.014498,5.309291);(439.107713,100.0)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(277.026167,5.271267);(439.131287,100.0)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(277.008919,5.450082);(439.091463,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(223.0408,18.72);(224.0484,10.41);(251.0345,4.9);(252.0451,93.29);(253.0534,100.0);(254.0548,10.91)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(252.0412,2.8);(253.0543,100.0);(254.0572,16.92);(269.2983,1.9);(415.1093,40.84);(416.1085,5.81)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(123.7036,1.49);(124.9113,4.73);(252.0337,3.35);(253.0527,18.79);(295.0564,3.12);(301.44,1.06);(352.369,1.4);(359.8676,1.46);(415.1056,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(116.2526,7.9);(145.1035,2.38);(176.3155,18.27);(199.5909,2.69);(252.0407,85.18);(253.0608,20.68);(254.0498,10.67);(266.04,1.79);(287.0732,1.49);(306.8647,1.77);(316.4349,7.44);(319.497,8.28);(411.5252,1.18);(415.0983,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(252.7075,1.5);(253.0545,100.0);(254.0563,13.81);(255.0625,3.0);(415.1092,37.44);(416.1082,4.1);(417.1107,1.9);(461.1144,51.15);(462.1161,10.11);(463.116,1.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(224.0567,3.0);(252.0454,25.53);(253.053,100.0);(254.055,10.31);(255.0552,5.11);(415.1084,19.62);(416.1094,6.11)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(129.069,1.08);(137.0227,8.73);(149.0219,1.23);(153.0691,2.19);(157.0625,1.55);(171.0782,1.44);(181.0652,4.09);(199.0745,15.47);(227.0702,7.54);(237.0517,2.35);(255.0645,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(223.0411,5.91);(224.0489,3.9);(252.0457,82.58);(253.0529,100.0);(254.0564,12.01);(255.057,3.9);(415.1052,8.71);(416.1143,2.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(103.5515,13.2);(122.5786,2.67);(128.4935,4.77);(130.2491,2.21);(132.0202,13.04);(186.1963,1.45);(195.0558,5.22);(196.0557,2.67);(196.9837,11.05);(208.0624,7.31);(223.035,23.34);(224.0445,14.81);(243.8352,4.2);(251.04,13.72);(252.0477,100.0);(252.7091,2.56);(253.5263,1.98);(254.3957,2.58);(264.776,2.32);(302.7517,2.17);(328.7346,2.56)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(255.0656,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(255.0657,100.0);(417.1179,14.82)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.8043594075);(45.03403978,0.2716842684);(71.01330434,0.2784621433);(73.0289544,0.7261601463);(85.0289544,0.3828239255);(95.04968984,1.037533366);(103.0395191,0.9706736164);(105.0551691,0.2822068506);(133.0500838,0.5335269391);(145.0500838,0.7025325876);(161.0449984,0.3749779692);(163.0606485,2.893885004);(239.0708192,1.852470561);(243.1021193,0.2518925515);(245.1177694,0.2518925515);(247.1334195,0.2518925515);(249.1490695,0.2518925515);(255.0657338,41.647585);(259.097034,0.4765985004);(261.112684,0.4765985004);(263.1283341,0.4810997474);(283.0606485,0.2967961572);(323.0766924,0.6020644279);(327.0868632,0.2588355239);(355.0817778,0.229338134);(381.0974279,2.350876881);(385.0923425,0.4493114156);(387.1079926,0.4228570568);(399.1079926,17.21776922);(399.1079926,0.7419692963);(417.1185573,22.22943315)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,1.982997884);(45.03403978,0.7074261424);(47.04968984,0.2395986722);(55.01838972,0.3725573814);(73.0289544,0.4092657196);(95.04968984,0.8068649011);(103.0395191,0.235986567);(137.023869,0.2717926063);(145.0500838,3.15878879);(161.0449984,0.3306230634);(163.0395191,0.2493023075);(163.0606485,3.493820795);(201.0551691,0.2351695896);(213.0551691,1.50470152);(225.0551691,3.618688261);(229.0500838,0.2988564925);(239.0708192,1.600931382);(255.0657338,68.95169551);(261.112684,0.2168442233);(263.1283341,0.2257576926);(279.0504777,0.3222545624);(295.0606485,0.5152053117);(297.0762985,0.2903918748);(299.0919486,0.2691349952);(355.0817778,0.3500260044);(357.0974279,0.2343318651);(381.0974279,1.788318357);(385.0923425,0.4641436702);(387.1079926,0.882215305);(399.1079926,3.903579097);(417.1185573,2.068729458)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,5.63391832);(45.03403978,1.336740766);(55.01838972,1.068850016);(59.01330434,0.7554519433);(65.03912516,0.8638808285);(71.01330434,1.16954796);(73.0289544,0.9484260094);(79.01838972,1.022678211);(87.00821896,2.429738911);(89.02386902,1.056601765);(95.04968984,2.433423803);(101.023869,1.210297826);(103.0395191,1.483736653);(119.0496898,5.18683702);(121.0289544,1.48108498);(135.0446045,1.65524005);(137.023869,3.089673854);(143.0344337,0.8454947218);(145.0500838,2.853541621);(187.0395191,1.306895669);(213.0551691,5.597314189);(225.0551691,18.87787074);(227.0344337,0.9343473205);(229.0500838,0.9060939431);(239.0708192,4.439875772);(255.0657338,26.94892724);(263.1283341,1.413995684);(283.0606485,0.8174287578);(357.0974279,0.7500812468);(381.0974279,0.7386252589);(399.1079926,0.7433789236)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(43.01838972,0.8067750129);(45.03403978,0.4687519187);(59.01330434,0.9372500374);(71.01330434,0.5197212928);(73.0289544,1.357121938);(85.0289544,0.6253357613);(89.02386902,2.437440903);(91.03951908,0.3556715652);(101.023869,0.4064998096);(103.0395191,3.099326391);(105.0551691,0.3171144958);(119.0344337,0.510911936);(133.0500838,2.090445996);(161.0449984,1.607593584);(237.0551691,0.5552509876);(253.0500838,28.35850153);(277.0500838,0.5068512397);(295.0606485,1.848750911);(297.0762985,0.3832940811);(299.0919486,0.3089523656);(311.0555631,1.101412508);(313.0712131,0.3745801217);(325.0712131,0.8219080914);(329.1025133,0.3512498265);(341.0661278,0.4217085803);(355.0817778,0.4281051645);(383.0766924,0.500762538);(385.0923425,1.686476402);(397.0923425,8.551376913);(397.0923425,0.4066319708);(415.1029072,37.85422613)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,0.5840141568);(43.01838972,3.000364879);(45.03403978,1.00211789);(59.01330434,1.490572935);(71.01330434,0.6834524891);(73.0289544,3.092055774);(89.02386902,0.5561281226);(93.03403978,1.228996806);(101.023869,0.7823165543);(103.0395191,1.483705204);(131.0344337,0.8924655785);(133.0500838,1.126658426);(161.0449984,1.444866752);(211.0395191,0.9383753252);(225.0551691,0.5716313999);(237.0551691,0.8706777477);(253.0500838,57.45112016);(255.0657338,0.4546334062);(267.0657338,0.5139748437);(279.0657338,0.6139790084);(295.0606485,1.679733262);(311.0555631,1.377841539);(321.0610424,0.7390086811);(323.0555631,0.6450014688);(325.0712131,0.9434323889);(355.0817778,0.4575792833);(367.0817778,0.6110505722);(383.0766924,0.8769600273);(385.0923425,2.409224237);(397.0923425,5.810377211);(415.1029072,5.66768387)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,2.914298489);(43.01838972,6.919618719);(45.03403978,1.765522227);(55.01838972,0.5137520996);(56.99765427,0.8069644146);(59.01330434,3.058940113);(67.01838972,0.4819892045);(71.01330434,1.343965141);(73.0289544,1.587747245);(89.02386902,0.7896010656);(91.03951908,0.4064563836);(93.03403978,1.302086483);(103.0395191,0.4363065923);(117.0340398,10.71445128);(119.0133043,1.412394227);(131.0133043,0.6805743993);(131.0344337,1.038412553);(133.0289544,1.268125185);(135.008219,3.767786295);(161.023869,0.6650517365);(195.0446045,0.6777021675);(211.0395191,6.156626223);(223.0395191,3.427246426);(225.0551691,1.843399867);(227.0344337,0.8242249248);(237.0551691,1.291048538);(253.0500838,40.82469665);(267.0657338,0.6430343348);(293.0449984,1.395665149);(323.0555631,0.6022254436);(325.0712131,0.4400864225)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(129.01933,6.95);(129.01933,6.95);(154.9986,12.26);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89);(415.10346,19.89)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(59.01385,6.75);(73.0295,2.54);(73.0295,2.54);(73.0295,2.54);(87.00877,3.88);(89.02442,3.94);(225.05572,6.68);(225.05572,6.68);(225.05572,6.68);(225.05572,6.68);(225.05572,6.68);(225.05572,6.68);(225.05572,6.68);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(253.05063,100.0);(255.06628,2.8);(255.06628,2.8);(257.08193,1.69);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(259.09758,9.38);(383.07724,1.84);(383.07724,1.84);(383.07724,1.84);(383.07724,1.84);(385.05651,1.93);(385.05651,1.93);(385.05651,1.93);(387.10854,2.88);(387.10854,2.88);(387.10854,2.88);(387.10854,2.88);(387.10854,2.88);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(397.09289,2.66);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22);(415.10346,8.22)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(117.03459,14.32);(133.0295,27.58);(211.04007,38.31);(211.04007,38.31);(211.04007,38.31);(223.04007,30.56);(225.05572,100.0);(225.05572,100.0);(225.05572,100.0);(225.05572,100.0);(225.05572,100.0);(225.05572,100.0);(225.05572,100.0);(227.03498,5.39);(227.03498,5.39);(253.05063,69.89);(253.05063,69.89);(253.05063,69.89);(253.05063,69.89);(253.05063,69.89);(253.05063,69.89);(253.05063,69.89)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(145.04954,5.64);(145.04954,5.64);(145.04954,5.64);(145.04954,5.64);(145.04954,5.64);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(381.09688,7.19);(381.09688,7.19);(381.09688,7.19);(381.09688,7.19);(381.09688,7.19);(381.09688,7.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(399.10744,9.19);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49);(417.11801,35.49)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(43.01784,4.75);(57.03349,2.14);(61.02841,2.95);(73.02841,2.13);(73.02841,2.13);(73.02841,2.13);(75.04406,2.71);(75.04406,2.71);(75.04406,2.71);(119.03389,2.49);(129.01824,3.85);(129.01824,3.85);(143.03389,4.17);(143.03389,4.17);(143.03389,4.17);(143.03389,4.17);(145.04954,9.28);(145.04954,9.28);(145.04954,9.28);(145.04954,9.28);(145.04954,9.28);(163.0601,4.75);(163.0601,4.75);(163.0601,4.75);(163.0601,4.75);(163.0601,4.75);(163.0601,4.75);(163.0601,4.75);(227.07027,4.05);(227.07027,4.05);(227.07027,4.05);(227.07027,4.05);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(279.06519,2.7);(297.07575,21.59);(297.07575,21.59);(299.0914,4.38);(327.08631,5.87);(327.08631,5.87);(327.08631,5.87);(327.08631,5.87);(329.10196,2.64);(329.10196,2.64);(355.08123,6.57);(355.08123,6.57);(357.09688,10.04);(357.09688,10.04);(357.09688,10.04);(357.09688,10.04);(357.09688,10.04);(373.09179,3.73);(373.09179,3.73);(381.09688,3.27);(381.09688,3.27);(381.09688,3.27);(381.09688,3.27);(381.09688,3.27);(381.09688,3.27);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(389.12309,2.26);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(399.10744,8.02);(415.10236,2.4);(415.10236,2.4);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81);(417.11801,10.81)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01784,33.11);(45.03349,23.29);(47.04914,3.73);(55.01784,9.18);(57.03349,17.36);(59.04914,5.1);(61.02841,4.54);(71.01276,3.64);(71.01276,3.64);(73.02841,9.97);(73.02841,9.97);(73.02841,9.97);(75.04406,7.11);(75.04406,7.11);(75.04406,7.11);(85.02841,5.3);(85.02841,5.3);(85.02841,5.3);(87.04406,7.25);(87.04406,7.25);(87.04406,7.25);(89.05971,11.53);(89.05971,11.53);(89.05971,11.53);(143.03389,3.52);(143.03389,3.52);(143.03389,3.52);(143.03389,3.52);(161.04445,4.04);(161.04445,4.04);(161.04445,4.04);(161.04445,4.04);(161.04445,4.04);(161.04445,4.04);(209.05971,3.42);(209.05971,3.42);(211.07536,4.44);(211.07536,4.44);(211.07536,4.44);(227.07027,4.28);(227.07027,4.28);(227.07027,4.28);(227.07027,4.28);(241.08592,4.7);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(255.06519,100.0);(267.06519,3.82);(299.07614,4.69);(299.07614,4.69);(317.10196,7.19);(319.11761,10.63);(347.11253,8.08);(349.12818,8.08);(373.09179,3.86);(373.09179,3.86);(387.10744,3.6);(387.10744,3.6);(387.10744,3.6);(387.10744,3.6);(387.10744,3.6);(387.10744,3.6);(387.10744,3.6);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(389.12309,5.39);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88);(417.11801,6.88)

Food Sources

No food source information available

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
Daidzin	Daidzein	human	plasma	gut microbiota metabolite	5h-8h	2-5 µmol/L	Not Available	C₁₅H₁₀O₄	254.057908802	Publications
Daidzin	Daidzin	human	plasma	unchanged	3h-5h	50-200 nmol/L	Not Available	C₂₁H₂₀O₉	416.110732224	Publications
Daidzin	Equol	human	plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	1-5%	C₁₅H₁₄O₃	242.094294311	Publications
Daidzin	6-Hydroxydaidzein	human	plasma	host metabolism	8h-12h	<20 nmol/L	Not Available	C₁₅H₁₀O₅	270.052823422	Publications
Daidzin	8-Hydroxydaidzein	human	plasma	host metabolism	8h-12h	<20 nmol/L	Not Available	C₁₅H₁₀O₅	270.052823422	Publications
Daidzin	3'-Hydroxydaidzein	human	plasma	host metabolism	8h-12h	50-200 nmol/L	Not Available	C₁₅H₁₀O₅	270.052823422	Publications
Daidzin	Equol 7-O-glucuronide	human	plasma, urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₂₁H₂₂O₉	418.126382288	Publications
Daidzin	Equol 4'-O-glucuronide	human	urine	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₂₁H₂₂O₉	418.126382288	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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