precursor

Showing entry for Isoquercitrin

Identification

PhytoHub ID
PHUB000661
Name
Isoquercitrin
Systematic Name
Not Available
Synonyms
  • 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl β-D-glucofuranoside
  • 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside
  • isoquercetin
  • Quercetin 3-glucoside
  • Quercetin 3-O-glucoside
  • quercetin 3-O-β-D-glucopyranoside
CAS Number
482-35-9
Average Mass
464.379
Monoisotopic Mass
464.095476084
Chemical Formula
C21H20O12
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
InChI Key
OVSQVDMCBVZWGM-QSOFNFLRSA-N
InChI Identifier
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
SMILES
OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.95e+00 g/l
LogS (ALOGPS)
-2.38
LogP (ALOGPS)
0.47
Hydrogen Acceptors
12
Hydrogen Donors
8
Rotatable Bond Count
4
Polar Surface Area
206.6
Refractivity
109.2755
Polarizability
43.233670548483765
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.98109237118166
pKa (strongest acidic)
6.372405531686565
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(81.033,0.01401401);(83.0134,0.001001);(85.0278,0.11311311);(87.0434,0.004004);(91.0387,0.00500501);(97.0279,0.02102102);(99.0439,0.004004);(109.0286,0.004004);(127.0392,0.001001);(153.017,0.002002);(165.0175,0.004004);(190.9534,0.001001);(201.0542,0.002002);(205.0292,0.001001);(217.05,0.001001);(229.0487,0.00900901);(230.0985,0.001001);(245.045,0.004004);(247.0593,0.001001);(257.0444,0.01001001);(258.0516,0.001001);(273.0385,0.00500501);(274.0453,0.002002);(275.054,0.001001);(285.0393,0.00500501);(286.0429,0.001001);(301.036,0.00800801);(302.0382,0.001001);(303.0498,1.0);(304.0531,0.19419419);(305.0562,0.01601602);(306.0555,0.002002)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(463.085,1.0);(463.9509,0.03803804);(464.0876,0.23723724)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.0279,0.03703704);(87.0434,0.002002);(91.0382,0.003003);(97.0281,0.00800801);(99.0434,0.001001);(127.0382,0.001001);(145.0492,0.002002);(301.0339,0.02002002);(302.0379,0.002002);(303.0494,1.0);(304.0531,0.1991992);(305.0556,0.02002002);(465.1009,0.001001)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(261.0915,0.001001);(268.0631,0.001001);(291.9864,0.001001);(301.034,0.02702703);(302.0393,0.002002);(303.0495,1.0);(304.053,0.17317317);(305.0544,0.01801802);(465.1028,0.42142142);(467.1081,0.01401401)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(271.0263,0.07707708);(272.0306,0.07307307);(274.019,0.05705706);(274.0464,0.05405405);(300.0282,1.0);(301.0353,0.24424424)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(300.0284,0.0960961);(463.0854,1.0);(464.0868,0.24124124)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(121.0294,0.01401401);(148.0167,0.01101101);(151.0034,0.06406406);(163.0034,0.03303303);(164.0114,0.01101101);(178.9982,0.03103103);(211.0398,0.01201201);(216.0425,0.01501502);(226.0263,0.01101101);(227.0349,0.02702703);(229.0508,0.01101101);(243.0295,0.14614615);(244.0348,0.02202202);(245.0443,0.02702703);(254.0219,0.04304304);(255.0295,0.33833834);(256.0331,0.05005005);(271.0245,0.78778779);(272.029,0.12912913);(273.0366,0.02402402);(283.0246,0.02102102);(299.019,0.01901902);(300.0273,1.0);(301.0326,0.25525526);(302.0359,0.03703704)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(151.0035,0.02302302);(178.9982,0.01901902);(243.0301,0.01401401);(255.0299,0.05405405);(271.0249,0.11611612);(272.0309,0.02502503);(273.0399,0.01501502);(283.025,0.01101101);(300.0276,1.0);(301.0337,0.34734735);(302.0365,0.05105105)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(127.0391,0.02502503);(145.0497,0.02302302);(303.0501,1.0);(304.0534,0.13413413);(305.0554,0.01901902)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(127.039,0.02002002);(145.0496,0.04504505);(303.0501,1.0);(304.0536,0.15515516);(305.0555,0.02402402)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(300.0281,0.11211211);(301.0354,0.12812813);(302.0388,0.02002002);(463.0882,1.0);(464.0917,0.23023023);(465.0933,0.04604605)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(151.0034,0.01201201);(178.9986,0.01201201);(300.0273,1.0);(301.0341,0.54454454);(302.0374,0.08308308);(303.0403,0.01601602);(463.0879,0.33633634);(464.0914,0.07807808);(465.093,0.01601602)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(463.0878,1.0);(463.208,0.01201201);(464.0912,0.21921922);(465.0937,0.04304304)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.0277,0.01401401);(97.0285,0.01301301);(109.0286,0.01001001);(127.0394,0.01401401);(137.0238,0.02202202);(153.0188,0.03503504);(165.0187,0.02502503);(229.0499,0.04004004);(247.0606,0.01401401);(257.0449,0.03403403);(285.0401,0.02502503);(303.0509,1.0);(304.0543,0.14314314);(305.0561,0.02202202)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(145.0497,0.02102102);(303.0503,1.0);(304.0537,0.14714715);(305.0553,0.02302302);(465.1034,0.2992993);(466.1066,0.06406406);(467.1086,0.01501502)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(127.0389,0.01801802);(303.0496,1.0);(304.053,0.13313313);(305.0551,0.02002002)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(67.01725,0.09209209);(67.05285,0.11511512);(81.02894,0.10610611);(81.03607,0.11111111);(85.02959,0.18418418);(93.04073,0.28128128);(95.01685,0.17517518);(95.04143,0.13413413);(111.00815,0.19419419);(121.0265,0.18918919);(121.03413,0.09209209);(127.04335,0.07807808);(137.0204,0.78778779);(138.02962,0.12412412);(145.02611,0.09209209);(153.01465,0.44744745);(153.0231,0.08808809);(156.0551,0.08308308);(163.03915,0.1011011);(163.07822,0.15715716);(164.98607,0.18418418);(165.01237,0.14714715);(165.01971,0.35535536);(167.04927,0.27627628);(173.05135,0.16616617);(201.04608,0.21721722);(201.0607,0.11511512);(202.05557,0.25325325);(205.03165,0.17117117);(211.04158,0.11511512);(213.05382,0.11111111);(219.02478,0.1981982);(219.05424,0.12412412);(220.17584,0.12012012);(228.04048,0.38238238);(229.04758,1.0);(230.05219,0.1011011);(234.0479,0.10610611);(257.04553,0.08308308);(258.05695,0.08308308);(274.06097,0.14314314);(285.04675,0.09209209);(303.02011,0.13413413);(303.03787,0.49349349);(303.0542,0.61261261);(304.05011,0.18418418);(436.41003,0.14314314)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.00033,0.12712713);(69.04091,0.13913914);(85.02977,0.1031031);(93.03045,0.18218218);(97.03369,0.25525526);(106.23327,0.13913914);(121.03197,0.12712713);(127.02871,0.15215215);(127.03756,0.18218218);(137.00104,0.2002002);(137.02492,0.44244244);(138.02211,0.17617618);(139.03998,0.26726727);(145.06544,0.28528529);(152.99327,0.12112112);(153.01497,0.84784785);(154.01817,0.15815816);(157.06509,0.13913914);(163.04179,0.37037037);(165.01604,0.42442442);(166.02678,0.16416416);(174.06325,0.10910911);(179.02769,0.10910911);(183.02606,0.21221221);(183.04109,0.12112112);(187.03777,0.12112112);(191.03136,0.15215215);(201.05669,0.21221221);(201.0663,0.10910911);(202.05254,0.10910911);(202.21092,0.22422422);(210.0638,0.19419419);(219.00809,0.10910911);(229.02113,0.15215215);(229.04799,1.0);(229.06548,0.10910911);(230.05144,0.10910911);(233.04445,0.1031031);(245.0562,0.12712713);(247.0518,0.12712713);(248.05156,0.12712713);(257.04163,0.22422422);(257.06046,0.42442442);(285.06134,0.13313313);(303.05563,0.13313313);(309.978,0.10910911)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.03072,0.01501502);(128.04282,0.00800801);(163.0555,0.01201201);(183.31892,0.01001001);(191.19487,0.00700701);(193.39449,0.00900901);(300.93286,0.00600601);(303.02295,0.03003003);(303.04974,1.0);(304.01483,0.01101101);(304.05527,0.17117117);(305.00073,0.00900901);(305.05609,0.02502503);(383.06866,0.01101101);(400.06946,0.01201201);(447.0928,0.01301301);(464.74451,0.00800801);(465.05649,0.01201201);(465.09,0.14414414);(465.10721,0.16916917)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.03054,0.01501502);(69.03463,0.00700701);(81.03439,0.00800801);(85.02238,0.01201201);(85.92169,0.00700701);(127.03517,0.00900901);(127.0444,0.00900901);(152.99622,0.00700701);(189.55449,0.01901902);(204.88902,0.00700701);(213.04556,0.00900901);(230.05576,0.01201201);(257.03375,0.01501502);(275.06525,0.01301301);(299.26132,0.01301301);(302.02728,0.01501502);(303.04999,1.0);(303.08466,0.00900901);(304.02585,0.00700701);(304.03928,0.03403403);(304.05334,0.10510511);(304.06796,0.02602603);(305.05569,0.02302302);(306.05157,0.01401401);(369.08243,0.00900901)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(65.40137,0.00800801);(145.04173,0.00700701);(145.05013,0.00900901);(217.81218,0.01201201);(255.66614,0.00800801);(302.04034,0.01401401);(302.98593,0.02302302);(303.04739,1.0);(304.0267,0.00900901);(304.04495,0.06406406);(304.06018,0.18118118);(305.03622,0.00800801);(305.05371,0.02102102);(306.6463,0.00800801);(306.71146,0.01001001);(359.69296,0.01501502);(464.0856,0.00700701);(465.09628,0.16216216);(465.11145,0.15015015)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(69.0349,0.01601602);(81.0344,0.01201201);(85.029,0.06906907);(97.0299,0.02402402);(109.0299,0.01601602);(111.0091,0.01101101);(127.0411,0.02002002);(137.0242,0.03503504);(145.0529,0.01801802);(153.019,0.04904905);(165.0192,0.02902903);(201.0566,0.02002002);(229.0503,0.04804805);(257.0444,0.03103103);(285.0385,0.01301301);(303.0491,1.0);(304.0519,0.01601602);(465.1033,0.01401401)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.03254,0.01001001);(81.03707,0.01001001);(85.02731,0.03503504);(86.81574,0.00600601);(97.03453,0.01001001);(119.01567,0.00900901);(127.03481,0.00900901);(165.01534,0.01101101);(192.72562,0.00700701);(229.05743,0.00700701);(247.05627,0.00700701);(276.14575,0.01301301);(286.91913,0.00600601);(301.03232,0.00700701);(302.03766,0.00800801);(302.9949,0.01101101);(303.0513,1.0);(304.00757,0.01501502);(304.04407,0.05505506);(304.06076,0.07307307);(305.04828,0.01001001);(305.05783,0.01901902);(305.07242,0.01001001)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.03225,0.12412412);(70.03722,0.1001001);(85.02402,0.15315315);(107.04102,0.12412412);(109.02742,0.26526527);(121.0209,0.11211211);(125.02219,0.15915916);(129.06325,0.15915916);(135.0452,0.27127127);(137.02069,0.46546547);(138.02483,0.14714715);(143.04951,0.2002002);(145.05699,0.21221221);(145.06366,0.21821822);(151.93738,0.11211211);(153.02048,0.38838839);(155.05302,0.17617618);(157.74243,0.11211211);(163.01447,0.27127127);(163.04462,0.1001001);(165.0118,0.18818819);(165.01836,0.41841842);(183.04179,0.24724725);(188.03311,0.15915916);(191.06224,0.10610611);(201.05441,0.39439439);(203.05829,0.1001001);(204.04366,0.27627628);(205.04306,0.2002002);(215.02812,0.23523524);(229.01964,0.13513514);(229.0484,1.0);(231.04274,0.15915916);(232.04305,0.12912913);(245.0463,0.13513514);(246.05048,0.12912913);(248.05417,0.1001001);(257.04535,0.1001001);(257.05734,0.30630631);(274.04407,0.21821822);(282.01016,0.11811812);(301.02896,0.15315315);(303.0463,0.6996997);(305.02008,0.15315315)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02871,0.01101101);(127.03417,0.01101101);(145.04141,0.01101101);(145.05138,0.00900901);(200.85121,0.02002002);(218.04303,0.00700701);(302.97729,0.01401401);(302.99738,0.01401401);(303.04807,1.0);(303.93222,0.01201201);(303.98352,0.01001001);(304.04913,0.24224224);(305.03589,0.00900901);(305.0502,0.00600601);(305.0672,0.01301301);(306.58148,0.00700701);(369.05826,0.00700701);(463.08041,0.01101101);(464.10641,0.00600601);(465.05563,0.01201201);(465.10092,0.24824825)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.02944,0.00900901);(85.02791,0.01101101);(93.02999,0.01401401);(115.03558,0.00700701);(121.0293,0.00900901);(127.03825,0.01901902);(145.05917,0.01001001);(147.04655,0.01001001);(152.00035,0.00600601);(164.10223,0.00800801);(165.01357,0.01301301);(229.04375,0.01901902);(278.66537,0.01101101);(285.04724,0.00700701);(288.98398,0.00600601);(295.68521,0.00700701);(302.03726,0.01001001);(302.05002,0.01101101);(302.61029,0.00600601);(303.01373,0.02202202);(303.05081,1.0);(304.0141,0.00700701);(304.02747,0.02902903);(304.05298,0.0950951);(304.06363,0.03503504);(304.08099,0.01101101);(304.67093,0.00700701);(305.04776,0.01901902);(305.07297,0.01501502);(306.96866,0.00600601);(315.06714,0.01101101);(345.06934,0.01001001);(394.07336,0.00800801);(465.10077,0.01601602)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02834,0.03303303);(97.02824,0.00700701);(101.01959,0.01101101);(127.02286,0.01501502);(137.0163,0.01001001);(137.02345,0.02902903);(138.02278,0.01301301);(145.0437,0.01901902);(174.06061,0.01101101);(201.05986,0.02102102);(229.04218,0.01301301);(229.04887,0.00800801);(258.03537,0.01301301);(301.03848,0.00800801);(302.03406,0.01301301);(303.01245,0.00700701);(303.0488,1.0);(304.0408,0.02902903);(304.05414,0.13713714);(304.08054,0.01501502);(304.1644,0.00800801);(329.17358,0.00700701);(345.05035,0.01001001);(465.08524,0.01001001);(465.10739,0.03103103)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(84.99052,0.00700701);(111.01006,0.01001001);(127.02965,0.00800801);(127.03911,0.00800801);(145.049,0.00700701);(153.01744,0.02702703);(163.04436,0.00700701);(201.05081,0.00800801);(219.02655,0.01201201);(229.03152,0.01001001);(229.0535,0.00700701);(257.03897,0.00800801);(258.86279,0.01201201);(302.85242,0.00700701);(303.00986,0.00800801);(303.04922,1.0);(304.05035,0.13513514);(304.06522,0.02802803);(304.08456,0.00800801);(305.05328,0.01201201);(305.0647,0.02202202);(315.62634,0.00800801);(355.89743,0.00700701);(370.03665,0.01001001);(426.94406,0.00900901);(430.1037,0.00800801);(465.02957,0.00700701);(465.08124,0.01101101);(465.11502,0.04504505)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(151.005,0.11811812);(243.0328,0.18518519);(255.0325,0.34234234);(271.0276,0.72972973);(300.0299,1.0);(301.0388,0.52052052);(463.0877,0.79379379)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(68.99549,0.01301301);(68.99936,0.00900901);(85.02349,0.01001001);(109.02957,0.01401401);(115.04054,0.00800801);(123.04987,0.00700701);(127.0285,0.02002002);(127.03966,0.02102102);(137.02576,0.00700701);(146.04205,0.00800801);(153.01941,0.01401401);(161.05843,0.00700701);(165.01442,0.02802803);(177.0298,0.00700701);(197.84132,0.00800801);(223.04407,0.00600601);(229.03987,0.00700701);(229.05864,0.00900901);(258.0513,0.01301301);(275.0459,0.01101101);(286.07166,0.00800801);(291.09476,0.02202202);(302.98962,0.00600601);(303.0351,0.17517518);(303.05045,1.0);(303.07776,0.01701702);(304.01962,0.00600601);(304.03867,0.01501502);(304.05289,0.0950951);(304.06445,0.06506507);(305.04459,0.01101101);(305.05896,0.00900901);(305.57639,0.00800801);(306.06363,0.01901902);(327.03961,0.01101101);(354.96738,0.00900901);(369.05356,0.00700701);(411.02423,0.00700701);(427.09351,0.01001001)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(111.01,0.01);(153.017,0.027);(219.027,0.012);(229.032,0.01);(258.863,0.012);(303.049,1.0);(304.05,0.135);(304.065,0.028);(305.053,0.012);(305.065,0.022);(370.037,0.01);(465.081,0.011);(465.115,0.045)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(217.812,0.012);(302.04,0.014);(302.986,0.023);(303.047,1.0);(304.045,0.064);(304.06,0.181);(305.054,0.021);(306.711,0.01);(359.693,0.015);(465.096,0.162);(465.111,0.15)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(69.033,0.01);(81.037,0.01);(85.027,0.035);(97.035,0.01);(165.015,0.011);(276.146,0.013);(302.995,0.011);(303.051,1.0);(304.008,0.015);(304.044,0.055);(304.061,0.073);(305.048,0.01);(305.058,0.019);(305.072,0.01)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(69.032,0.124);(70.037,0.1);(85.024,0.153);(107.041,0.124);(109.027,0.265);(121.021,0.112);(125.022,0.159);(129.063,0.159);(135.045,0.271);(137.021,0.465);(138.025,0.147);(143.05,0.2);(145.057,0.212);(145.064,0.218);(151.937,0.112);(153.02,0.388);(155.053,0.176);(157.742,0.112);(163.014,0.271);(163.045,0.1);(165.012,0.188);(165.018,0.418);(183.042,0.247);(188.033,0.159);(191.062,0.106);(201.054,0.394);(203.058,0.1);(204.044,0.276);(205.043,0.2);(215.028,0.235);(229.02,0.135);(229.048,1.0);(231.043,0.159);(232.043,0.129);(245.046,0.135);(246.05,0.129);(248.054,0.1);(257.045,0.1);(257.057,0.306);(274.044,0.218);(282.01,0.118);(301.029,0.153);(303.046,0.7);(305.02,0.153)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.028,0.033);(101.02,0.011);(127.023,0.015);(137.016,0.01);(137.023,0.029);(138.023,0.013);(145.044,0.019);(174.061,0.011);(201.06,0.021);(229.042,0.013);(258.035,0.013);(302.034,0.013);(303.049,1.0);(304.041,0.029);(304.054,0.137);(304.081,0.015);(345.05,0.01);(465.085,0.01);(465.107,0.031)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.031,0.015);(163.056,0.012);(183.319,0.01);(303.023,0.03);(303.05,1.0);(304.015,0.011);(304.055,0.171);(305.056,0.025);(383.069,0.011);(400.069,0.012);(447.093,0.013);(465.056,0.012);(465.09,0.144);(465.107,0.169)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(69.031,0.015);(85.022,0.012);(189.554,0.019);(230.056,0.012);(257.034,0.015);(275.065,0.013);(299.261,0.013);(302.027,0.015);(303.05,1.0);(304.039,0.034);(304.053,0.105);(304.068,0.026);(305.056,0.023);(306.052,0.014)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(69.0,0.127);(69.041,0.139);(85.03,0.103);(93.03,0.182);(97.034,0.255);(106.233,0.139);(121.032,0.127);(127.029,0.152);(127.038,0.182);(137.001,0.2);(137.025,0.442);(138.022,0.176);(139.04,0.267);(145.065,0.285);(152.993,0.121);(153.015,0.848);(154.018,0.158);(157.065,0.139);(163.042,0.37);(165.016,0.424);(166.027,0.164);(174.063,0.109);(179.028,0.109);(183.026,0.212);(183.041,0.121);(187.038,0.121);(191.031,0.152);(201.057,0.212);(201.066,0.109);(202.053,0.109);(202.211,0.224);(210.064,0.194);(219.008,0.109);(229.021,0.152);(229.048,1.0);(229.065,0.109);(230.051,0.109);(233.044,0.103);(245.056,0.127);(247.052,0.127);(248.052,0.127);(257.042,0.224);(257.06,0.424);(285.061,0.133);(303.056,0.133);(309.978,0.109)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.028,0.011);(93.03,0.014);(127.038,0.019);(145.059,0.01);(147.047,0.01);(165.014,0.013);(229.044,0.019);(278.665,0.011);(302.037,0.01);(302.05,0.011);(303.014,0.022);(303.051,1.0);(304.027,0.029);(304.053,0.095);(304.064,0.035);(304.081,0.011);(305.048,0.019);(305.073,0.015);(315.067,0.011);(345.069,0.01);(465.101,0.016)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.029,0.011);(127.034,0.011);(145.041,0.011);(200.851,0.02);(302.977,0.014);(302.997,0.014);(303.048,1.0);(303.932,0.012);(303.984,0.01);(304.049,0.242);(305.067,0.013);(463.08,0.011);(465.056,0.012);(465.101,0.248)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(68.995,0.013);(85.023,0.01);(109.03,0.014);(127.028,0.02);(127.04,0.021);(153.019,0.014);(165.014,0.028);(258.051,0.013);(275.046,0.011);(291.095,0.022);(303.035,0.175);(303.05,1.0);(303.078,0.017);(304.039,0.015);(304.053,0.095);(304.064,0.065);(305.045,0.011);(306.064,0.019);(327.04,0.011);(427.094,0.01)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(67.017,0.092);(67.053,0.115);(81.029,0.106);(81.036,0.111);(85.03,0.184);(93.041,0.281);(95.017,0.175);(95.041,0.134);(111.008,0.194);(121.026,0.189);(121.034,0.092);(127.043,0.078);(137.02,0.788);(138.03,0.124);(145.026,0.092);(153.015,0.447);(153.023,0.088);(156.055,0.083);(163.039,0.101);(163.078,0.157);(164.986,0.184);(165.012,0.147);(165.02,0.355);(167.049,0.276);(173.051,0.166);(201.046,0.217);(201.061,0.115);(202.056,0.253);(205.032,0.171);(211.042,0.115);(213.054,0.111);(219.025,0.198);(219.054,0.124);(220.176,0.12);(228.04,0.382);(229.048,1.0);(230.052,0.101);(234.048,0.106);(257.046,0.083);(258.057,0.083);(274.061,0.143);(285.047,0.092);(303.02,0.134);(303.038,0.493);(303.054,0.613);(304.05,0.184);(436.41,0.143)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(145.05,0.021);(303.05,1.0);(304.054,0.147);(305.055,0.023);(465.103,0.299);(466.107,0.064);(467.109,0.015)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(127.039,0.02);(145.05,0.045);(303.05,1.0);(304.054,0.155);(305.056,0.024)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(127.039,0.025);(145.05,0.023);(303.05,1.0);(304.053,0.134);(305.055,0.019)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(127.039,0.018);(303.05,1.0);(304.053,0.133);(305.055,0.02)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(463.088,1.0);(463.208,0.012);(464.091,0.219);(465.094,0.043)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(300.028,0.112);(301.035,0.128);(302.039,0.02);(463.088,1.0);(464.092,0.23);(465.093,0.046)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(151.003,0.012);(178.999,0.012);(300.027,1.0);(301.034,0.545);(302.037,0.083);(303.04,0.016);(463.088,0.337);(464.091,0.078);(465.093,0.016)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(151.004,0.023);(178.998,0.019);(243.03,0.014);(255.03,0.054);(271.025,0.117);(272.031,0.025);(273.04,0.015);(283.025,0.011);(300.028,1.0);(301.034,0.347);(302.036,0.051)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.028,0.014);(97.028,0.013);(109.029,0.01);(127.039,0.014);(137.024,0.022);(153.019,0.035);(165.019,0.025);(229.05,0.04);(247.061,0.014);(257.045,0.034);(285.04,0.025);(303.051,1.0);(304.054,0.143);(305.056,0.022)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(121.029,0.014);(148.017,0.011);(151.003,0.064);(163.003,0.033);(164.011,0.011);(178.998,0.031);(211.04,0.012);(216.042,0.015);(226.026,0.011);(227.035,0.027);(229.051,0.011);(243.03,0.146);(244.035,0.022);(245.044,0.027);(254.022,0.043);(255.03,0.338);(256.033,0.05);(271.024,0.788);(272.029,0.129);(273.037,0.024);(283.025,0.021);(299.019,0.019);(300.027,1.0);(301.033,0.255);(302.036,0.037)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(301.034,0.027);(303.05,1.0);(304.053,0.174);(305.054,0.019);(465.103,0.421);(467.108,0.015)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.028,0.037);(301.034,0.02);(303.049,1.0);(304.053,0.199);(305.056,0.02)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(463.085,1.0);(463.951,0.038);(464.088,0.238)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(300.028,0.097);(463.085,1.0);(464.087,0.242)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(81.033,0.014);(85.028,0.114);(97.028,0.021);(257.044,0.011);(303.05,1.0);(304.053,0.195);(305.056,0.017)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(271.026,0.077);(272.031,0.074);(274.019,0.058);(274.046,0.055);(300.028,1.0);(301.035,0.244)
LC-MS/MS ESI- LC-Q-TOF/MSPositivelowView Spectrum(69.0349,0.015);(81.0344,0.011);(85.029,0.069);(97.0299,0.024);(109.0299,0.016);(111.0091,0.01);(127.0411,0.019);(137.0242,0.035);(145.0529,0.017);(153.019,0.048);(165.0192,0.028);(201.0566,0.02);(229.0503,0.048);(257.0444,0.031);(285.0385,0.012);(303.0491,0.999);(304.0519,0.015);(465.1033,0.014)
LC-MS/MS ESI- LC-Q-TOF/MSNegativelowView Spectrum(151.0047,0.116);(178.9994,0.057);(227.0367,0.065);(243.0319,0.175);(255.032,0.348);(271.0266,0.694);(272.0327,0.071);(300.0288,0.999);(301.0383,0.512);(463.0876,0.815);(464.0979,0.087)

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
Apple juiceBeverages, Non-alcoholic PublicationsShow
Black teaTeas and herbal teas PublicationsShow
BlackberryFruit, Berries PublicationsShow
BroccoliVegetables, Cabbages PublicationsShow
CocoaCocoa and cocoa products PublicationsShow
Cocoa beanCocoa and cocoa products PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
MangoFruit, Tropical fruits PublicationsShow
OnionVegetables, Onion-family PublicationsShow
PeachFruit, Drupes PublicationsShow
Rooibos teaBeverages, Non-alcoholic PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Isoquercitrin IsoquercitrinratplasmaunchangedNot AvailableNot AvailableNot AvailableC21H20O12464.095476084 Publications
Isoquercitrin Quercetinhumanplasma, urinehost-gut microbiota co-metabolite<1h2-5µmol/L1-5%C15H10O7302.042652662 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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