precursor

Showing entry for Quercetin 4'-O-glucoside

Identification

PhytoHub ID
PHUB000729
Name
Quercetin 4'-O-glucoside
Systematic Name
Not Available
Synonyms
  • 3,3',4',5,7-Pentahydroxyflavone; 4'-O-β-D-Glucopyranoside
  • Quercetin 4'-glucoside
  • quercetin 4ʼ-O-β-D-glucopyranoside
  • Spiraein
  • Spiraeoside
CAS Number
20229-56-5
Average Mass
464.379
Monoisotopic Mass
464.095476084
Chemical Formula
C21H20O12
IUPAC Name
3,5,7-trihydroxy-2-(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
InChI Key
OIUBYZLTFSLSBY-HMGRVEAOSA-N
InChI Identifier
InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
SMILES
OC[C@H]1O[C@@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)[C@H](O)[C@@H](O)[C@@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.59e+00 g/l
LogS (ALOGPS)
-2.46
LogP (ALOGPS)
0.63
Hydrogen Acceptors
12
Hydrogen Donors
8
Rotatable Bond Count
4
Polar Surface Area
206.59999999999997
Refractivity
109.0066
Polarizability
44.01754101237549
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.9810923549038426
pKa (strongest acidic)
6.38136982725467
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-QTOFNegativehighView Spectrum(107.0147,0.13213213);(121.0294,0.30630631);(148.0201,0.05005005);(149.0265,0.10610611);(151.0044,1.0);(152.0097,0.07907908);(164.014,0.07007007);(178.9994,0.15015015);(227.0357,0.11011011);(229.043,0.06606607);(243.0318,0.18018018);(245.0466,0.06406406);(255.0307,0.11811812);(271.0247,0.1971972);(273.04,0.06406406);(283.0269,0.05705706);(299.0195,0.05905906);(300.0273,0.44244244);(301.034,0.0990991)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(121.0295,0.04304304);(151.0045,0.26226226);(178.9992,0.14214214);(229.0516,0.02202202);(257.0446,0.02402402);(273.0406,0.06106106);(300.0275,0.62562563);(301.0352,1.0);(302.0378,0.12412412);(463.0886,0.02802803)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(301.0357,1.0);(302.0392,0.10910911);(463.0886,0.17417417);(464.0923,0.03303303)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(107.0152,0.12312312);(121.0298,0.25125125);(149.0277,0.03503504);(151.0042,1.0);(152.0091,0.07307307);(164.0129,0.04004004);(169.0148,0.03503504);(178.9995,0.38338338);(227.0357,0.07607608);(229.0478,0.08208208);(243.0306,0.04104104);(245.0455,0.08208208);(255.0305,0.07207207);(271.0262,0.12212212);(272.032,0.04004004);(273.0399,0.0980981);(283.0272,0.05505506);(299.0196,0.05405405);(300.0276,0.87787788);(301.0344,0.42442442);(302.037,0.05505506)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02895,0.03903904);(91.05511,0.04704705);(93.03603,0.03603604);(109.02525,0.12912913);(109.0311,0.08608609);(109.20061,0.03403403);(111.00858,0.10510511);(112.01273,0.04704705);(112.99191,0.03403403);(121.02689,0.04904905);(121.03252,0.0980981);(128.04756,0.03403403);(135.04912,0.08408408);(137.02209,0.42642643);(138.02046,0.09009009);(138.02751,0.10910911);(138.06413,0.03903904);(144.04642,0.03603604);(145.0303,0.04104104);(145.05501,0.03903904);(145.06767,0.07507508);(149.0226,0.06406406);(149.02986,0.03803804);(153.01212,0.2982983);(153.01991,0.44144144);(155.04613,0.07707708);(159.05238,0.04704705);(163.04265,0.16716717);(164.05449,0.06606607);(164.99084,0.04304304);(165.01491,0.3003003);(166.68561,0.04304304);(173.03333,0.04504505);(177.06236,0.04304304);(183.04861,0.12612613);(186.63997,0.03903904);(187.02867,0.04704705);(187.04005,0.07107107);(188.05138,0.03803804);(190.02477,0.06606607);(191.06889,0.05305305);(192.92595,0.03603604);(195.02527,0.05605606);(201.05585,0.47747748);(202.06435,0.03803804);(206.01894,0.03803804);(211.03819,0.07307307);(212.05609,0.1031031);(213.0578,0.12612613);(215.02609,0.05805806);(219.03606,0.15015015);(219.05051,0.04504505);(219.06836,0.03803804);(220.03133,0.07107107);(228.03313,0.05105105);(228.04677,0.08608609);(229.04675,1.0);(229.27007,0.03803804);(231.01157,0.06906907);(231.0369,0.05305305);(231.05519,0.05105105);(232.03735,0.04504505);(243.04129,0.0980981);(246.06271,0.05405405);(247.06758,0.05105105);(257.02267,0.04904905);(257.04211,0.39239239);(257.05853,0.09409409);(258.04382,0.08308308);(272.75476,0.03203203);(274.00302,0.04904905);(274.04474,0.13113113);(274.06067,0.03203203);(275.05038,0.03803804);(285.01111,0.03903904);(285.02194,0.04104104);(286.04865,0.03203203);(302.83371,0.04104104);(303.01144,0.03803804);(303.04492,0.4994995);(303.06287,0.06906907);(304.04599,0.15415415);(305.05264,0.04504505);(320.03156,0.03203203)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(97.03024,0.00600601);(110.99934,0.00800801);(138.02603,0.00600601);(145.04662,0.01001001);(153.02512,0.01201201);(155.04738,0.00700701);(165.01752,0.02202202);(165.02498,0.01001001);(179.0282,0.00600601);(201.06143,0.02402402);(207.88684,0.00500501);(228.12772,0.00500501);(229.04776,0.00800801);(239.02919,0.00500501);(247.06519,0.00900901);(248.05402,0.00600601);(248.06197,0.00900901);(257.04166,0.01501502);(257.42023,0.00800801);(274.04449,0.00800801);(274.06046,0.00600601);(285.04703,0.00500501);(303.01074,0.01901902);(303.05035,1.0);(303.82706,0.00600601);(303.99701,0.00800801);(304.04739,0.11411411);(304.05963,0.13113113);(305.03552,0.00600601);(305.04968,0.00600601);(447.07394,0.00500501);(465.03943,0.01001001);(465.06384,0.01201201);(465.10458,0.29129129)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.01946,0.06306306);(93.02813,0.04304304);(95.05062,0.13113113);(97.03108,0.07007007);(107.05109,0.06106106);(109.02851,0.25725726);(119.00531,0.0950951);(121.03022,0.10610611);(124.04974,0.06506507);(129.06633,0.06306306);(131.05309,0.11511512);(135.04544,0.04104104);(137.0228,0.35035035);(137.03134,0.12912913);(139.03217,0.06306306);(147.04486,0.05405405);(153.00339,0.04304304);(153.01698,0.53253253);(153.02843,0.1021021);(154.02029,0.21421421);(154.03328,0.04104104);(155.05247,0.05605606);(165.00407,0.04704705);(165.01768,0.33233233);(166.02522,0.19019019);(166.05006,0.04704705);(169.5795,0.07407407);(171.04437,0.04504505);(173.06137,0.22122122);(174.06183,0.04504505);(177.01915,0.13313313);(177.06059,0.05405405);(183.03935,0.17617618);(183.05139,0.04504505);(185.06621,0.04704705);(187.03633,0.17817818);(188.88264,0.04104104);(195.0265,0.03803804);(201.05084,0.04304304);(201.05911,0.0990991);(201.93826,0.07707708);(202.04921,0.05205205);(217.24625,0.05905906);(221.0481,0.07907908);(229.04079,0.23523524);(229.05067,0.46746747);(229.06665,0.04104104);(229.97102,0.07007007);(230.05092,0.09309309);(232.03297,0.04704705);(239.02708,0.05405405);(256.03152,0.03803804);(256.99081,0.04704705);(257.05029,0.04504505);(274.03751,0.04704705);(274.05609,0.04504505);(275.05847,0.05905906);(285.05316,0.06306306);(286.05151,0.04104104);(303.009,0.06106106);(303.05286,1.0);(304.05914,0.11511512);(305.2959,0.03803804);(336.17224,0.05005005)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(109.0287,0.01201201);(111.0108,0.01401401);(121.029,0.01401401);(137.0249,0.04704705);(153.0194,0.06706707);(163.0414,0.01101101);(165.0199,0.03603604);(183.0435,0.01101101);(201.0563,0.02802803);(229.052,0.06606607);(257.0468,0.03903904);(274.0504,0.01301301);(285.0397,0.01401401);(303.0508,1.0);(304.0547,0.01701702);(465.1033,0.16016016)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(150.03241,0.00500501);(153.01547,0.00600601);(165.01779,0.01301301);(229.05196,0.00600601);(257.04269,0.01501502);(285.04138,0.00700701);(303.04965,1.0);(303.07776,0.01201201);(304.03027,0.00500501);(304.0556,0.10710711);(305.04083,0.00800801);(305.05869,0.01601602)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(136.99495,0.00600601);(137.02138,0.00500501);(149.01775,0.00600601);(153.01489,0.00700701);(163.03969,0.00700701);(165.01004,0.00600601);(201.05815,0.01001001);(229.05136,0.01101101);(230.04773,0.00600601);(258.05505,0.00700701);(285.03867,0.00800801);(303.01215,0.01201201);(303.04944,1.0);(303.07846,0.01201201);(304.05255,0.17117117);(305.04752,0.02802803);(305.0701,0.00900901)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.0266,0.00900901);(109.02221,0.00600601);(127.03926,0.00500501);(145.05089,0.00900901);(153.01122,0.01401401);(153.01843,0.00600601);(165.01366,0.00600601);(188.04884,0.00700701);(200.87296,0.00600601);(202.07368,0.00600601);(218.05084,0.00900901);(229.04778,0.02802803);(257.03406,0.00700701);(257.0517,0.00900901);(258.0278,0.00700701);(274.04941,0.00800801);(285.03076,0.01101101);(302.07986,0.00600601);(302.94846,0.00600601);(303.0032,0.00700701);(303.01776,0.02002002);(303.04913,1.0);(304.03418,0.02202202);(304.05634,0.18718719);(305.05347,0.01101101);(305.07071,0.00900901);(331.04434,0.00600601);(465.08514,0.05805806);(465.10522,0.23823824)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(99.04225,0.00500501);(163.06502,0.00600601);(303.04788,0.1971972);(303.05817,0.07507508);(303.08041,0.00800801);(304.05215,0.04304304);(304.06427,0.02802803);(305.05148,0.00700701);(305.07144,0.00600601);(306.80728,0.00500501);(464.99734,0.01001001);(465.05484,0.03803804);(465.10199,1.0);(465.16083,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(285.3938,0.00700701);(303.02811,0.02202202);(303.05057,0.22622623);(303.08887,0.00900901);(304.05457,0.05205205);(305.06097,0.01101101);(316.39972,0.00500501);(371.23688,0.00500501);(396.94754,0.00800801);(464.12302,0.00500501);(465.04523,0.01001001);(465.10382,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(68.02568,0.07107107);(77.03761,0.04704705);(94.03757,0.04804805);(95.0471,0.05505506);(97.02972,0.11311311);(107.01324,0.04304304);(109.02885,0.08908909);(111.00747,0.14014014);(111.48075,0.02702703);(116.29722,0.05305305);(117.03592,0.03103103);(117.06854,0.05305305);(117.07774,0.05305305);(121.02901,0.1981982);(123.04616,0.04304304);(125.25177,0.03203203);(127.03406,0.03203203);(136.02083,0.04704705);(137.02115,0.20920921);(138.0255,0.03903904);(139.0231,0.02902903);(143.04234,0.04304304);(145.07205,0.03403403);(149.0141,0.06006006);(149.02104,0.07107107);(149.03055,0.03103103);(150.03615,0.03203203);(153.02071,0.52952953);(153.39983,0.03903904);(154.022,0.18218218);(155.02187,0.06306306);(155.04529,0.0980981);(156.03004,0.04304304);(159.04776,0.06306306);(161.01245,0.04804805);(161.06201,0.03903904);(163.03841,0.03903904);(165.01903,0.20520521);(166.02325,0.02702703);(173.05322,0.13813814);(174.05894,0.05805806);(176.04401,0.02702703);(177.02023,0.05505506);(183.03801,0.17917918);(183.04921,0.08708709);(183.30948,0.02702703);(187.04213,0.04204204);(189.61526,0.03203203);(191.03198,0.02902903);(194.01936,0.03703704);(195.03259,0.05505506);(200.0455,0.03103103);(201.04793,0.0970971);(201.0535,0.24824825);(201.07196,0.02902903);(202.06175,0.05605606);(204.98761,0.03403403);(205.04263,0.04204204);(211.03905,0.07707708);(213.05997,0.05605606);(218.05258,0.05605606);(225.6292,0.02702703);(228.0383,0.03403403);(228.04419,0.07107107);(229.04971,0.48548549);(230.06125,0.11411411);(231.02605,0.03903904);(231.0593,0.04704705);(239.03674,0.03503504);(248.06364,0.03203203);(256.73633,0.04004004);(257.04489,0.50550551);(257.07742,0.06606607);(258.02625,0.04704705);(267.04062,0.03903904);(274.03793,0.03703704);(274.05396,0.02902903);(276.05081,0.0980981);(285.03214,0.13513514);(286.04587,0.02702703);(286.91531,0.03903904);(302.97,0.03503504);(303.02002,0.1001001);(303.04459,0.41141141);(303.05341,1.0);(304.04675,0.05605606);(304.06973,0.07407407);(440.03699,0.04704705)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(266.98041,0.00800801);(272.76242,0.00700701);(303.04797,0.25925926);(304.04657,0.02302302);(304.05789,0.02902903);(304.09241,0.00600601);(465.05835,0.02902903);(465.10263,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(107.0145,0.11411411);(121.0301,0.0980981);(151.004,0.45345345);(178.9991,0.18318318);(300.0287,0.22922923);(301.0363,1.0);(463.0877,0.32832833)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(111.63556,0.00700701);(121.02799,0.00800801);(137.02205,0.01101101);(145.04352,0.01601602);(149.021,0.00700701);(153.02003,0.00600601);(155.04546,0.00600601);(157.70096,0.00700701);(160.1418,0.01001001);(161.05991,0.00600601);(165.00941,0.00600601);(165.01738,0.00700701);(165.02827,0.00700701);(166.02374,0.00600601);(167.02936,0.00500501);(177.01488,0.01001001);(179.04518,0.00600601);(212.42442,0.00600601);(213.05099,0.01001001);(221.01129,0.00500501);(229.05385,0.00900901);(230.05829,0.00900901);(247.05482,0.01201201);(257.04193,0.00700701);(276.0466,0.00500501);(285.03354,0.01201201);(292.13806,0.00800801);(302.9111,0.00700701);(303.00168,0.01401401);(303.01917,0.02102102);(303.04947,1.0);(303.08786,0.00500501);(303.11099,0.01101101);(304.01096,0.00600601);(304.05423,0.11211211);(305.06387,0.01101101);(306.05185,0.01101101);(307.03247,0.00600601);(325.3497,0.01001001);(431.83459,0.00700701);(464.28671,0.00700701);(464.99231,0.00900901);(465.0231,0.00800801);(465.09348,0.15615616);(465.10965,0.16816817)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(229.04333,0.01101101);(301.88635,0.00800801);(303.01587,0.01301301);(303.04984,1.0);(304.05261,0.16916917);(305.04105,0.01101101);(305.05072,0.03603604);(305.06506,0.01901902)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(301.036,1.0);(302.039,0.109);(463.089,0.174);(464.092,0.033)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(121.03,0.043);(151.004,0.262);(178.999,0.142);(229.052,0.022);(257.045,0.024);(273.041,0.061);(300.028,0.626);(301.035,1.0);(302.038,0.124);(463.089,0.028)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(107.015,0.123);(121.03,0.251);(149.028,0.035);(151.004,1.0);(152.009,0.073);(164.013,0.04);(169.015,0.035);(179.0,0.383);(227.036,0.076);(229.048,0.082);(243.031,0.041);(245.046,0.082);(255.03,0.072);(271.026,0.122);(272.032,0.04);(273.04,0.098);(283.027,0.055);(299.02,0.054);(300.028,0.878);(301.034,0.424);(302.037,0.055)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(107.015,0.132);(121.029,0.306);(148.02,0.05);(149.026,0.106);(151.004,1.0);(152.01,0.079);(164.014,0.07);(178.999,0.15);(227.036,0.11);(229.043,0.066);(243.032,0.18);(245.047,0.064);(255.031,0.118);(271.025,0.197);(273.04,0.064);(283.027,0.057);(299.02,0.059);(300.027,0.442);(301.034,0.099)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(145.047,0.01);(153.025,0.012);(165.018,0.022);(165.025,0.01);(201.061,0.024);(257.042,0.015);(303.011,0.019);(303.05,1.0);(304.047,0.114);(304.06,0.131);(465.039,0.01);(465.064,0.012);(465.105,0.291)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(303.048,0.197);(303.058,0.075);(304.052,0.043);(304.064,0.028);(464.997,0.01);(465.055,0.038);(465.102,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(201.058,0.01);(229.051,0.011);(303.012,0.012);(303.049,1.0);(303.078,0.012);(304.053,0.171);(305.048,0.028)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(68.026,0.071);(77.038,0.047);(94.038,0.048);(95.047,0.055);(97.03,0.113);(107.013,0.043);(109.029,0.089);(111.007,0.14);(111.481,0.027);(116.297,0.053);(117.036,0.031);(117.069,0.053);(117.078,0.053);(121.029,0.198);(123.046,0.043);(125.252,0.032);(127.034,0.032);(136.021,0.047);(137.021,0.209);(138.026,0.039);(139.023,0.029);(143.042,0.043);(145.072,0.034);(149.014,0.06);(149.021,0.071);(149.031,0.031);(150.036,0.032);(153.021,0.53);(153.4,0.039);(154.022,0.182);(155.022,0.063);(155.045,0.098);(156.03,0.043);(159.048,0.063);(161.012,0.048);(161.062,0.039);(163.038,0.039);(165.019,0.205);(166.023,0.027);(173.053,0.138);(174.059,0.058);(176.044,0.027);(177.02,0.055);(183.038,0.179);(183.049,0.087);(183.309,0.027);(187.042,0.042);(189.615,0.032);(191.032,0.029);(194.019,0.037);(195.033,0.055);(200.046,0.031);(201.048,0.097);(201.054,0.248);(201.072,0.029);(202.062,0.056);(204.988,0.034);(205.043,0.042);(211.039,0.077);(213.06,0.056);(218.053,0.056);(225.629,0.027);(228.038,0.034);(228.044,0.071);(229.05,0.485);(230.061,0.114);(231.026,0.039);(231.059,0.047);(239.037,0.035);(248.064,0.032);(256.736,0.04);(257.045,0.506);(257.077,0.066);(258.026,0.047);(267.041,0.039);(274.038,0.037);(274.054,0.029);(276.051,0.098);(285.032,0.135);(286.046,0.027);(286.915,0.039);(302.97,0.035);(303.02,0.1);(303.045,0.411);(303.053,1.0);(304.047,0.056);(304.07,0.074);(440.037,0.047)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.022,0.011);(145.044,0.016);(160.142,0.01);(177.015,0.01);(213.051,0.01);(247.055,0.012);(285.034,0.012);(303.002,0.014);(303.019,0.021);(303.049,1.0);(303.111,0.011);(304.054,0.112);(305.064,0.011);(306.052,0.011);(325.35,0.01);(465.093,0.156);(465.11,0.168)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(303.028,0.022);(303.051,0.226);(304.055,0.052);(305.061,0.011);(465.045,0.01);(465.104,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(229.043,0.011);(303.016,0.013);(303.05,1.0);(304.053,0.169);(305.041,0.011);(305.051,0.036);(305.065,0.019)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.029,0.039);(91.055,0.047);(93.036,0.036);(109.025,0.129);(109.031,0.086);(109.201,0.034);(111.009,0.105);(112.013,0.047);(112.992,0.034);(121.027,0.049);(121.033,0.098);(128.048,0.034);(135.049,0.084);(137.022,0.426);(138.02,0.09);(138.028,0.109);(138.064,0.039);(144.046,0.036);(145.03,0.041);(145.055,0.039);(145.068,0.075);(149.023,0.064);(149.03,0.038);(153.012,0.298);(153.02,0.441);(155.046,0.077);(159.052,0.047);(163.043,0.167);(164.054,0.066);(164.991,0.043);(165.015,0.3);(166.686,0.043);(173.033,0.045);(177.062,0.043);(183.049,0.126);(186.64,0.039);(187.029,0.047);(187.04,0.071);(188.051,0.038);(190.025,0.066);(191.069,0.053);(192.926,0.036);(195.025,0.056);(201.056,0.477);(202.064,0.038);(206.019,0.038);(211.038,0.073);(212.056,0.103);(213.058,0.126);(215.026,0.058);(219.036,0.15);(219.051,0.045);(219.068,0.038);(220.031,0.071);(228.033,0.051);(228.047,0.086);(229.047,1.0);(229.27,0.038);(231.012,0.069);(231.037,0.053);(231.055,0.051);(232.037,0.045);(243.041,0.098);(246.063,0.054);(247.068,0.051);(257.023,0.049);(257.042,0.392);(257.059,0.094);(258.044,0.083);(272.755,0.032);(274.003,0.049);(274.045,0.131);(274.061,0.032);(275.05,0.038);(285.011,0.039);(285.022,0.041);(286.049,0.032);(302.834,0.041);(303.011,0.038);(303.045,0.499);(303.063,0.069);(304.046,0.154);(305.053,0.045);(320.032,0.032)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(153.011,0.014);(229.048,0.028);(285.031,0.011);(303.018,0.02);(303.049,1.0);(304.034,0.022);(304.056,0.187);(305.053,0.011);(465.085,0.058);(465.105,0.238)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(303.048,0.259);(304.047,0.023);(304.058,0.029);(465.058,0.029);(465.103,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(165.018,0.013);(257.043,0.015);(303.05,1.0);(303.078,0.012);(304.056,0.107);(305.059,0.016)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.019,0.063);(93.028,0.043);(95.051,0.131);(97.031,0.07);(107.051,0.061);(109.029,0.257);(119.005,0.095);(121.03,0.106);(124.05,0.065);(129.066,0.063);(131.053,0.115);(135.045,0.041);(137.023,0.35);(137.031,0.129);(139.032,0.063);(147.045,0.054);(153.003,0.043);(153.017,0.533);(153.028,0.102);(154.02,0.214);(154.033,0.041);(155.052,0.056);(165.004,0.047);(165.018,0.332);(166.025,0.19);(166.05,0.047);(169.58,0.074);(171.044,0.045);(173.061,0.221);(174.062,0.045);(177.019,0.133);(177.061,0.054);(183.039,0.176);(183.051,0.045);(185.066,0.047);(187.036,0.178);(188.883,0.041);(195.026,0.038);(201.051,0.043);(201.059,0.099);(201.938,0.077);(202.049,0.052);(217.246,0.059);(221.048,0.079);(229.041,0.235);(229.051,0.467);(229.067,0.041);(229.971,0.07);(230.051,0.093);(232.033,0.047);(239.027,0.054);(256.032,0.038);(256.991,0.047);(257.05,0.045);(274.038,0.047);(274.056,0.045);(275.058,0.059);(285.053,0.063);(286.052,0.041);(303.009,0.061);(303.053,1.0);(304.059,0.115);(305.296,0.038);(336.172,0.05)
LC-MS/MS ESI- LC-Q-TOF/MSPositivelowView Spectrum(109.0287,0.012);(111.0108,0.014);(121.029,0.013);(137.0249,0.046);(153.0194,0.066);(163.0414,0.011);(165.0199,0.036);(183.0435,0.01);(201.0563,0.027);(229.052,0.066);(257.0468,0.038);(274.0504,0.012);(285.0397,0.013);(303.0508,0.999);(304.0547,0.017);(465.1033,0.16)
LC-MS/MS ESI- LC-Q-TOF/MSNegativelowView Spectrum(107.0145,0.114);(121.0301,0.098);(151.004,0.452);(178.9991,0.182);(300.0287,0.228);(301.0363,0.999);(463.0877,0.327)

Food Sources

NameGroup
OnionVegetables, Onion-family PublicationsShow
red onionVegetables, Onion-family PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Quercetin 4'-O-glucoside Isorhamnetinhumanplasma, urinehost metabolism<1hNot Available<1%C16H12O7316.058302726 Publications
Quercetin 4'-O-glucoside Isorhamnetin 3-O-glucuronidehumanplasmahost-gut microbiota co-metaboliteNot AvailableNot AvailableNot AvailableC22H20O13492.090390704 Publications
Quercetin 4'-O-glucoside Quercetinhumanplasma, urinehost-gut microbiota co-metabolite<1h2-5µmol/L1-5%C15H10O7302.042652662 Publications
Quercetin 4'-O-glucoside Quercetin 3-O-glucuronidehumanplasmaNot AvailableNot AvailableNot AvailableNot AvailableC21H18O13478.07474064 Publications
Quercetin 4'-O-glucoside Quercetin 3'-O-glucuronidehumanurinehost-gut microbiota co-metaboliteNot AvailableNot AvailableNot AvailableC21H18O13478.07474064 Publications
Quercetin 4'-O-glucoside Tamarixetinhumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC16H14O7318.073952791 Publications
Quercetin 4'-O-glucoside Quercetin diglucuronidehumanplasma (minor)host-gut microbiota co-metaboliteNot AvailableNot AvailableNot AvailableC27H26O19 Publications
Quercetin 4'-O-glucoside Quercetin glucose glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC27H28O18 Publications
Quercetin 4'-O-glucoside Quercetin sulfo-glucuronidehumanplasmahost-gut microbiota co-metaboliteNot AvailableNot AvailableNot AvailableC21H18O16S Publications
Quercetin 4'-O-glucoside Quercetin 3'-O-sulfatehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC15H10O10S381.999467696 Publications
Onion flavonols Quercetin 4'-O-glucosidehumanplasma, urineunknown<1hNot AvailableNot AvailableC21H20O12464.095476084 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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