PhytoHub: Showing entry for Tangeretin

Tangeretin

Identification

PhytoHub ID

PHUB000907

Name

Tangeretin

Systematic Name

Not Available

Synonyms

5,6,7,8,4'-Pentamethoxyflavone

CAS Number

Not Available

Average Mass

372.373

Monoisotopic Mass

372.120902984

Chemical Formula

C₂₀H₂₀O₇

IUPAC Name

5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

InChI Key

ULSUXBXHSYSGDT-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3

SMILES

COC1=CC=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C(OC)=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 9.30e-03 g/l
LogS (ALOGPS): -4.60
LogP (ALOGPS): 2.88
Hydrogen Acceptors: 7
Hydrogen Donors: 0
Rotatable Bond Count: 6
Polar Surface Area: 72.45000000000002
Refractivity: 99.28719999999998
Polarizability: 38.79702849913623
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.213504789736568
pKa (strongest acidic): Not Available
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: Yes

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: O-methylated flavonoids
Direct Parent Name: 8-O-methylated flavonoids
Alternative Parent Names: ["4'-O-methylated flavonoids", "5-O-methylated flavonoids", "6-O-methylated flavonoids", "7-O-methylated flavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous esters"]
External Descriptor Annotations: ["Flavones and Flavonols", "flavones", "pentamethoxyflavone"]
Substituent Names: ["1-benzopyran", "4p-methoxyflavonoid-skeleton", "5-methoxyflavonoid-skeleton", "6-methoxyflavonoid-skeleton", "7-methoxyflavonoid-skeleton", "8-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous ester"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(131.0491377,0.7799367806);(132.0569623,1.770810223);(133.0647869,1.420181911);(135.0440518,0.9792082588);(158.0362272,1.147993928);(160.0518764,1.336167542);(161.059701,0.9688609409);(196.073003,1.048242694);(198.0886522,0.7800949014);(200.0467905,1.141831518);(224.0679171,1.525195813);(225.0757417,0.7915788767);(238.0835663,0.7851500323);(286.0835663,2.937052915);(287.0913909,1.556770857);(288.0992155,1.424743282);(289.1070401,0.797561318);(327.086305,1.337219312);(329.1019542,1.702800573);(340.0941296,3.079193637);(341.1019542,3.463200478);(342.1053528,0.7531914553);(342.1097788,5.556105327);(343.1131794,1.209198775);(343.1176034,2.073504254);(344.125428,3.440982694);(356.0890437,3.055785928);(357.0968683,9.150400035);(358.1002683,1.993498133);(371.1125175,0.8325707822);(372.1203421,2.709736556)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(131.0491377,0.7799367806);(132.0569623,1.770810223);(133.0647869,1.420181911);(135.0440518,0.9792082588);(158.0362272,1.147993928);(160.0518764,1.336167542);(161.059701,0.9688609409);(196.073003,1.048242694);(198.0886522,0.7800949014);(200.0467905,1.141831518);(224.0679171,1.525195813);(225.0757417,0.7915788767);(238.0835663,0.7851500323);(286.0835663,2.937052915);(287.0913909,1.556770857);(288.0992155,1.424743282);(289.1070401,0.797561318);(327.086305,1.337219312);(329.1019542,1.702800573);(340.0941296,3.079193637);(341.1019542,3.463200478);(342.1053528,0.7531914553);(342.1097788,5.556105327);(343.1131794,1.209198775);(343.1176034,2.073504254);(344.125428,3.440982694);(356.0890437,3.055785928);(357.0968683,9.150400035);(358.1002683,1.993498133);(371.1125175,0.8325707822);(372.1203421,2.709736556)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(352.333341,0.759825);(353.260122,100.0);(354.240607,12.644692)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.050173,0.51997);(122.975869,3.84409);(170.039501,5.966133);(183.048055,83.990326);(184.058156,16.11721);(185.04897,0.93569);(197.072323,23.474569);(198.070275,12.006813);(199.074844,1.382301);(211.09859,13.367529);(212.068093,5.272272);(223.129405,0.540833);(225.116024,16.954906);(226.092103,5.048789);(237.100243,0.52962);(239.119307,14.969887);(240.099751,3.719329);(253.130991,5.273152);(254.12174,1.57251);(265.161209,0.758947);(267.14156,3.025107);(268.143042,1.497486);(273.195603,1.65694);(275.178456,0.52911);(281.15356,3.485604);(282.164886,1.310521);(289.302137,8.636708);(290.291426,1.356202);(291.196405,0.989438);(295.171028,2.214682);(296.184399,0.552405);(307.214499,0.666378);(309.191071,5.200251);(310.142943,0.88266);(323.204861,0.765789);(324.210852,1.107854);(325.201437,1.124452);(330.605265,0.631556);(331.109013,1.220217);(331.614931,1.20128);(335.198126,7.558439);(336.206362,1.014022);(337.222622,0.80013);(338.292889,0.949268);(338.750008,0.57805);(344.58031,0.522776);(353.259651,100.0);(354.260234,22.319122)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.029626,0.677588);(122.970076,5.330023);(170.03867,7.306754);(171.026445,0.506371);(183.042963,100.0);(184.0543,19.166652);(185.047707,1.175121);(197.070166,28.220814);(198.069556,13.641095);(199.052375,1.571455);(211.094009,15.948356);(212.07392,6.195749);(213.066351,0.66232);(223.105873,0.683463);(225.108743,20.301261);(226.083822,6.483012);(227.12025,0.707198);(239.118548,17.437647);(240.095965,4.473312);(253.130081,6.192273);(254.124534,1.839425);(255.13952,0.548058);(265.153244,1.132467);(267.127396,3.780036);(268.132979,2.008141);(269.166672,0.560057);(273.1897,2.598458);(275.158715,0.806384);(281.149991,4.48885);(282.149801,1.673855);(289.302999,9.978652);(290.278143,1.692606);(291.183807,1.418831);(293.175207,0.759011);(295.176519,2.629301);(296.18098,0.766379);(307.204348,1.022846);(309.192131,7.583158);(310.158724,1.238804);(317.144038,0.5817);(323.19792,1.048902);(324.199505,1.274709);(325.1994,1.465784);(330.583341,0.916243);(331.104962,1.924153);(331.603034,1.741392);(335.192148,9.100332);(336.202027,1.197466);(337.23943,0.890315);(338.166674,1.20729);(338.416674,1.102782);(338.750008,0.748922);(339.083341,0.662142);(344.156776,0.653834);(344.583341,0.646681);(353.261449,8.386631);(354.253257,1.258384)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.038366,0.66715);(122.967095,6.509646);(170.03826,7.531588);(171.038176,0.560775);(183.044934,100.0);(184.050152,18.646513);(185.043871,1.131411);(197.072215,29.627199);(198.069839,14.954101);(199.062397,1.693366);(209.055149,0.538959);(211.091777,16.521567);(212.069163,6.55232);(213.073077,0.705528);(221.119355,0.519331);(223.130514,0.892986);(225.109021,20.309741);(226.079852,6.484261);(227.127849,0.816124);(237.100675,0.649838);(239.121482,17.750055);(240.094435,4.77317);(241.118358,0.547695);(247.142442,0.685412);(253.126154,6.468651);(254.122478,1.986579);(255.14168,0.682452);(265.153098,1.766735);(267.139361,3.955324);(268.138328,2.362429);(268.666672,0.587586);(269.166672,0.615332);(271.204172,0.587012);(273.191676,3.394662);(275.160439,1.142848);(279.157035,0.596134);(281.152216,5.353226);(282.144553,2.150549);(283.166673,0.613327);(289.299437,10.257347);(290.279712,1.591064);(291.180472,2.187395);(293.168186,0.946359);(295.171926,2.79533);(296.182636,0.886009);(307.213066,1.417904);(308.166673,0.583041);(308.416673,0.513566);(309.186018,11.083621);(310.143531,1.635571);(311.187659,0.657492);(317.223647,0.764385);(322.130213,0.727598);(322.58334,0.671792);(323.19875,1.131685);(324.193909,1.61841);(325.201467,1.920897);(326.139065,0.500489);(330.62236,1.442479);(331.109682,2.881015);(331.583341,2.544666);(335.18802,11.785264);(336.186959,1.211352);(337.234385,0.802941);(338.416674,1.416451);(338.750008,1.248673);(339.083341,0.689614);(344.130589,1.015894);(344.583341,0.843637)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.040851,0.620026);(122.973908,1.405283);(170.033186,6.623753);(183.047544,100.0);(184.068345,8.957052);(197.070779,28.215012);(198.081201,9.883356);(211.099176,14.262278);(212.069002,4.824493);(225.115382,19.010115);(226.082274,4.168107);(239.117738,16.431177);(240.127616,2.606697);(253.129046,6.059825);(254.127674,1.365288);(261.185694,0.595357);(265.151599,0.607297);(267.138174,2.999119);(268.151432,3.720677);(268.666672,1.22348);(273.148914,1.251186);(275.165038,1.892588);(275.583339,0.923345);(281.149409,2.940154);(282.176567,2.33795);(282.750006,0.78158);(289.306962,11.711289);(290.313316,0.550745);(291.166673,0.624103);(295.191341,1.520252);(296.114781,0.672704);(309.209806,3.31491);(310.16843,0.567045);(323.192719,0.535674);(324.245692,1.304988);(335.188782,2.839357);(338.250008,0.882465)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.06868,0.545123);(122.965837,3.584793);(170.038221,5.721781);(179.152567,0.726112);(183.044322,84.829731);(184.050397,10.823998);(185.040789,0.595627);(197.074055,24.079398);(198.075423,9.41282);(199.089133,0.990871);(203.125372,0.556274);(211.095902,13.150566);(212.076602,4.082431);(221.142468,0.686603);(223.138559,1.128018);(225.108607,16.904298);(226.088592,4.377866);(227.149916,0.600548);(229.178548,0.424603);(237.112682,0.725025);(239.121794,14.840705);(240.106455,2.808049);(247.161467,1.061685);(248.127714,0.450908);(251.136517,0.442418);(253.124635,5.22517);(254.109024,1.349281);(255.149011,0.586379);(261.184792,0.430251);(263.135213,0.42453);(265.170601,2.597498);(267.118761,2.938436);(268.1492,3.49034);(268.666672,1.144413);(269.166672,0.604741);(271.135604,0.429625);(273.157143,3.522599);(275.158486,1.663551);(275.666672,0.658812);(279.153732,0.70788);(281.164586,6.196105);(282.159547,2.211031);(282.666673,0.701403);(288.169729,0.480076);(289.284271,9.455657);(290.276859,0.739622);(291.206121,3.241637);(293.177708,1.14489);(295.157001,1.916375);(296.177828,0.744929);(307.249519,1.23802);(308.268333,1.176883);(309.202057,12.790778);(310.166673,0.810973);(311.189441,0.533602);(317.170088,0.828685);(320.191667,0.58125);(322.103217,0.450909);(323.201848,0.900945);(324.232252,1.237706);(325.195382,1.692233);(330.626093,1.100976);(331.126261,1.499242);(331.666674,0.916027);(335.187579,9.604521);(336.202148,0.543084);(338.262802,0.97397);(344.083341,0.572688)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(145.084181,0.316192);(167.042974,0.340781);(171.169072,1.115138);(181.181058,1.575948);(183.14851,0.601307);(193.159249,0.353583);(197.122883,0.42256);(199.072578,1.092428);(207.179957,0.301288);(209.237931,20.164868);(210.253987,0.304013);(213.069608,0.289116);(215.187599,0.291966);(225.1717,0.614589);(227.14538,0.342714);(235.211086,1.926171);(237.169244,0.334122);(239.168141,0.301856);(240.160724,0.715876);(241.120932,1.362258);(243.239755,4.310386);(253.232683,31.885984);(254.218161,0.50408);(255.143521,0.499162);(257.212749,0.382245);(267.212422,0.434496);(269.155054,0.415411);(271.161322,0.356627);(279.200482,6.186037);(281.156273,0.2888);(283.178284,0.923754);(291.212235,0.463229);(295.196387,0.323001);(296.250006,0.379335);(297.221399,51.749404);(298.220454,0.803396);(299.178752,0.723135);(308.372554,0.489132);(309.274193,3.933789);(310.213003,0.27409);(311.188007,1.918934);(313.1837,0.323703);(324.392791,1.092481);(325.274302,1.269565);(326.33334,0.443678);(327.272075,14.144524);(328.171803,1.307204);(329.15299,0.632022);(335.243538,0.513648);(339.207446,1.242921);(340.307065,0.313833);(341.236221,0.474926);(343.169877,1.578551);(344.151343,0.568255);(352.333341,0.295813);(353.249081,8.843714);(354.219855,0.76559);(356.140995,0.82893);(357.13574,0.488034)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(294.433353,1.8432);(295.526237,1.74152);(297.467807,1.16632);(311.416673,0.977462);(312.467607,17.973088);(313.416673,0.840424);(325.448038,8.876365);(327.451621,1.488482);(329.483217,2.117732);(339.507483,0.557159);(340.468125,2.492987);(343.409347,83.634967);(358.239289,100.0);(359.164427,0.69756);(364.67266,1.141739)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(294.518099,1.239539);(295.250006,0.578725);(297.33334,0.777236);(297.58334,0.712512);(311.33334,0.610829);(312.546357,10.906006);(325.50717,5.922458);(326.83334,1.077118);(327.166674,1.217189);(329.559051,1.426044);(340.625319,1.701185);(343.335172,54.949368);(344.583341,10.329887);(358.14203,100.0);(359.083341,18.036062)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(283.833339,0.577813);(284.666672,0.604309);(294.750006,2.537268);(295.833339,2.09091);(297.757058,1.867862);(312.781273,26.12729);(325.754837,14.115882);(327.732754,1.914579);(329.782603,3.480006);(339.916674,0.866451);(340.792708,3.504043);(343.60627,99.800867);(344.500008,6.576031);(358.223093,100.0);(359.083341,10.039977)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(349.770045,0.997376);(365.666206,59.266669);(380.303424,100.0);(381.166675,0.838189);(395.234565,99.985569);(396.11489,38.334524)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(284.583339,0.541225);(294.571509,2.029329);(295.583339,0.775221);(297.583445,1.648399);(311.58334,1.309076);(312.565334,21.685561);(325.539808,11.151139);(327.499688,1.817982);(329.561057,2.825551);(339.583341,0.724029);(340.559979,2.928336);(341.583341,0.808741);(343.483256,98.066221);(344.333341,15.973199);(358.203044,100.0);(359.000008,22.966405);(374.248654,5.901571)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(284.666672,0.50663);(294.59534,2.227783);(295.583339,0.693984);(296.583339,0.513162);(297.597105,1.523704);(312.58245,23.066389);(325.563726,11.932752);(327.525794,1.925705);(329.584054,2.92024);(339.583341,0.700553);(340.608104,3.179941);(341.583341,0.865418);(343.515995,98.861576);(344.416674,15.452209);(358.209989,100.0);(359.000008,23.020498);(374.216044,0.961646)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(283.666672,0.625114);(284.583339,0.943801);(284.833339,0.981629);(294.638465,1.976706);(295.500006,0.789059);(296.583339,0.54455);(297.621835,1.477587);(312.592581,20.727451);(315.83334,0.537318);(325.574907,10.592613);(327.58334,2.017748);(328.666674,0.536115);(329.616718,2.795348);(330.583341,0.797058);(339.666674,0.773419);(340.616687,3.101294);(341.583341,1.199817);(343.545254,97.393534);(344.166674,28.004603);(344.500008,28.014248);(346.750008,0.803041);(358.222763,100.0);(359.000008,31.765554);(374.248853,5.82055);(375.21143,0.885254)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(294.419381,1.963878);(297.422844,1.161495);(311.416673,0.920566);(312.405939,20.424963);(313.416673,1.998396);(325.405388,10.432778);(326.250007,0.767176);(327.396404,1.68184);(329.432493,2.480192);(339.416674,0.534633);(340.425644,2.828804);(341.416674,0.572149);(342.500008,1.439428);(343.416838,95.63989);(344.166674,7.592689);(358.197461,100.0);(359.083341,13.866508)
LC-MS/MS	Not Available	positive	Not Available	View 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LC-MS/MS	Not Available	positive	Not Available	View 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21114);(304.471344,0.006724);(304.848877,0.024611);(305.216553,0.003362);(307.722656,0.025955);(308.915985,0.024073);(309.116119,0.016676);(309.413483,0.030662);(309.54068,0.023266);(310.204254,0.025821);(310.31189,0.025552);(310.924561,0.016407);(311.721222,0.012373);(312.098785,1.13787);(312.360931,0.004438);(312.464233,0.018424);(312.489685,0.011835);(312.858856,0.018559);(312.910095,0.006859);(312.983887,0.031604);(313.06958,1.710235);(313.248901,0.014793);(313.394897,0.021652);(313.616791,0.016273);(313.881714,0.019231);(314.328156,0.009817);(314.506165,0.017886);(314.675354,0.011431);(315.085724,6.745053);(315.404327,0.002421);(315.775879,0.024207);(315.834991,0.009548);(316.289032,0.011431);(316.454468,0.009683);(316.535919,0.026762);(317.082428,0.012104);(317.124481,0.027704);(317.94458,0.010086);(318.03302,0.021786);(318.150543,0.012238);(318.266968,0.008338);(320.809143,0.030528);(321.880371,0.009817);(322.630096,0.025149);(323.319031,0.032276);(324.10202,0.018155);(324.624908,0.012776);(324.799805,0.00659);(324.901367,0.019769);(325.071747,6.965338);(325.279968,0.006993);(325.501587,0.016811);(325.578796,0.014793);(325.88913,0.013448);(325.945404,0.028242);(325.992523,0.008069);(326.074371,1.025307);(326.353882,0.004841);(326.633636,0.004976);(326.973114,0.025686);(327.051086,1.454581);(327.360809,0.027166);(327.584686,0.005245);(328.057465,9.776595);(328.131653,0.025821);(328.275787,0.020038);(328.41095,0.028242);(328.48175,0.008741);(328.655884,0.004035);(329.063293,1.692887);(329.955658,0.006724);(330.151093,0.011431);(330.363953,0.026493);(330.657318,0.00659);(330.699463,0.011566);(331.295532,0.02488);(331.3526,0.012238);(331.547516,0.002555);(331.638184,0.003631);(331.885315,0.019231);(331.971954,0.003766);(335.433899,0.033487);(335.516632,0.005379);(336.4617,0.013852);(337.036743,0.020038);(337.065155,0.02488);(337.192535,0.028511);(338.975739,0.015466);(339.190582,0.007397);(339.262085,0.029183);(339.716858,0.020173);(339.827393,0.027838);(339.888977,0.013179);(340.247681,0.025821);(340.481201,0.02219);(340.726349,0.030797);(340.77533,0.031873);(340.85907,0.020173);(340.9534,0.011297);(341.186554,0.006993);(341.268341,0.013583);(341.323151,0.011835);(341.394043,0.003631);(341.474609,0.009952);(341.565704,0.022459);(341.644836,0.025552);(341.716797,0.014928);(341.799866,0.0078);(341.866577,0.025418);(341.936798,0.014255);(342.018188,0.01439);(342.165771,0.027973);(342.362,0.010893);(342.393494,0.011028);(342.420898,0.012642);(342.453461,0.017079);(342.536285,0.026359);(342.838409,0.026359);(343.081482,100.0);(343.305145,0.025014);(343.342133,0.013179);(343.371094,0.016542);(343.468628,0.010221);(343.566162,0.030124);(343.602295,0.018962);(343.636139,0.028107);(343.692261,0.003766);(343.835327,0.031066);(343.94516,0.007935);(343.978302,0.031738);(344.084808,13.703801);(344.1745,0.016273);(344.197113,0.016811);(344.300354,0.011566);(344.447601,0.0156);(344.47879,0.007531);(344.514435,0.017483);(344.603912,0.031469);(344.665131,0.004169);(344.80191,0.010759);(344.961792,0.009817);(345.007141,0.021383);(345.131927,0.028376);(345.231232,0.0117);(345.304657,0.0156);(345.41864,0.021114);(345.503571,0.006859);(345.653687,0.009952);(345.7099,0.020576);(345.766968,0.016407);(345.853394,0.004976);(345.952118,0.012238);(346.067383,0.014121);(346.099548,0.016273);(346.201752,0.013583);(346.226685,0.014524);(346.268433,0.030259);(346.375061,0.016945);(346.415527,0.015062);(346.626801,0.016138);(346.6987,0.025418);(346.804993,0.016542);(346.874664,0.008473);(346.964142,0.008876);(347.011017,0.016542);(347.053833,0.014121);(347.196625,0.023266);(347.246826,0.003631);(347.411316,0.007531);(347.47821,0.005917);(347.507263,0.024342);(347.581512,0.008741);(347.838867,0.003766);(347.904938,0.029452);(347.977325,0.007666);(348.09317,0.011835);(348.634583,0.005917);(349.281036,0.003497);(349.933502,0.021921);(350.008301,0.009548);(350.050232,0.008741);(351.941223,0.006724);(352.213287,0.011835);(353.016571,0.030662);(353.939941,0.014659);(354.307343,0.029049);(354.619629,0.007262);(355.771576,0.012642);(355.847992,0.011297);(355.87973,0.007935);(356.233307,0.032276);(356.293091,0.026897);(356.352783,0.004303);(356.590637,0.029183);(356.638275,0.01291);(356.931091,0.006321);(357.049591,0.032949);(358.104645,15.176268);(358.189728,0.010759);(358.233154,0.013852);(358.266052,0.016676);(358.340363,0.019097);(358.388733,0.020845);(358.449615,0.009279);(358.633728,0.009683);(358.763672,0.027435);(358.827423,0.003766);(358.928864,0.028511);(359.108734,2.245348);(359.430237,0.005245);(359.488983,0.006455);(359.698853,0.0117);(359.901123,0.002555);(360.537811,0.004303);(360.951508,0.007262);(361.182892,0.016004);(361.338562,0.013448);(361.532501,0.0117);(361.583466,0.005379);(361.731049,0.005783);(362.430359,0.017483);(362.72345,0.022459);(363.011627,0.006052);(363.854919,0.02098);(364.368439,0.013179);(367.611328,0.023535);(369.847931,0.017752);(370.070343,0.016811);(370.681885,0.009548);(370.775604,0.008338);(371.457733,0.022459);(371.826508,0.004438);(371.924316,0.016676);(372.235352,0.007128);(372.302917,0.010221);(372.633026,0.032142);(372.835541,0.017886);(372.860321,0.016407);(372.893188,0.017752);(373.129089,39.979585);(373.367096,0.008338);(373.528961,0.022997);(373.621277,0.006993);(373.697723,0.005648);(373.753845,0.006993);(373.815338,0.014928);(373.844452,0.009279);(373.979828,0.008204);(374.031708,0.011566);(374.132385,5.782819);(374.224701,0.028645);(374.45459,0.018021);(374.718262,0.007128);(374.768433,0.006859);(375.328461,0.027435);(375.54892,0.003766);(375.639557,0.032545);(375.761688,0.002421);(375.788025,0.008069);(376.00946,0.005917);(376.218842,0.018559);(376.320526,0.022055);(376.366058,0.013179);(376.396332,0.010086);(376.464539,0.022324);(376.498779,0.011297);(376.573669,0.003228);(376.618866,0.012373);(376.664398,0.012238);(376.732544,0.005648);(376.790985,0.005245);(376.898254,0.012238);(376.922089,0.009145);(377.396576,0.00901);(377.546753,0.009279);(378.004944,0.004841);(378.457977,0.002555);(380.002136,0.003093);(380.495392,0.018693);(385.209412,0.003766);(385.544617,0.0195);(385.913147,0.0078);(387.24588,0.013314);(389.049377,0.002824);(390.940247,0.015062);(393.223236,0.008607);(394.308044,0.010624);(395.322632,0.007531);(405.161285,0.002555);(469.755646,0.003362);(511.510834,0.011431);(578.824341,0.0117);(582.252319,0.010086);(595.221191,0.011431);(639.779968,0.005245);(782.109192,0.004976);(845.246399,0.005783);(910.573669,0.010893);(926.673157,0.013717);(1148.296875,0.005648);(1363.564819,0.006052);(1371.235474,0.010355);(1390.647217,0.008741);(1613.571289,0.011835);(1633.27478,0.012507);(1817.988281,0.005245);(1855.493774,0.033487);(1960.333618,0.023804);(1995.729858,0.0312);(2003.173462,0.018962)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(127.0391,6.65);(132.059,2.78);(133.066,9.7);(135.0444,11.69);(137.0222,2.22);(139.0031,1.5);(145.0669,1.24);(165.0187,5.99);(168.006,5.84);(181.0161,1.11);(183.0297,34.57);(193.0134,4.85);(198.0681,1.02);(201.053,2.32);(211.0245,30.3);(214.0623,4.17);(216.0803,2.59);(226.0645,1.19);(227.0721,3.94);(228.0446,6.83);(229.0512,7.21);(242.0584,3.08);(243.0649,1.89);(244.0737,2.54);(254.0588,3.52);(256.0713,1.61);(257.0424,1.07);(268.0785,1.3);(269.083,5.76);(271.0615,31.74);(282.0558,9.31);(283.0619,10.91);(285.044,8.63);(297.0767,22.58);(299.056,11.55);(300.0639,27.87);(311.0826,1.86);(313.0735,3.23);(315.0873,13.0);(323.0578,2.58);(325.0697,9.8);(328.0587,21.86);(343.0831,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(183.0294,1.04);(294.0886,1.04);(297.0762,4.03);(300.0637,1.35);(312.0991,3.33);(315.088,1.08);(325.0701,7.5);(328.0568,1.48);(340.0923,1.07);(343.0811,100.0);(358.1039,34.12);(373.1284,93.14)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(343.0806,6.86);(358.1042,5.52);(373.1267,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.0001827394);(51.0234751,0.0025307618);(53.03912516,0.0005173933);(57.03403978,0.1049440849);(77.03912516,0.0001161503);(81.03403978,0.0006768206);(83.04968984,0.0233135393);(103.0547752,0.0010185291);(105.0340398,0.0004669184);(107.0496898,0.0002951097);(133.0653399,0.1990134709);(211.0606485,0.0044179115);(241.0712131,0.6910178009);(257.0813839,0.0000555649);(267.0868632,0.0001454786);(287.0919486,0.0009535534);(291.0868632,0.0367973591);(313.1075986,0.0237472414);(313.1075986,0.0016098817);(315.0868632,0.0753896201);(315.0868632,0.0043502508);(317.1025133,0.1112224338);(317.1025133,0.0087803163);(327.0868632,0.0201482725);(331.0817778,0.0010530167);(331.0817778,0.0003510056);(343.1181633,2.593996965);(343.1181633,1.010444598);(345.0974279,0.4610574263);(347.1130779,0.3111604079);(373.128728,94.31022538)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.0111621705);(51.0234751,0.0730345456);(53.03912516,0.00759412);(57.03403978,0.1259475462);(77.03912516,0.0026940567);(81.03403978,0.0158065972);(83.04968984,0.2931220199);(103.0547752,0.0051294483);(105.0340398,0.0031642574);(107.0496898,0.0013049259);(133.0653399,0.4325602761);(211.0606485,0.0254530306);(241.0712131,1.219671952);(257.0813839,0.0089519844);(267.0868632,0.0026178752);(287.0919486,0.0339099391);(291.0868632,0.695064996);(313.1075986,0.2117888846);(313.1075986,0.0227768269);(315.0868632,0.3541824029);(315.0868632,0.0225152603);(317.1025133,1.106652825);(317.1025133,0.0539633094);(327.0868632,0.0876688821);(331.0817778,0.0067203594);(331.0817778,0.0022401198);(343.1181633,4.043937445);(343.1181633,2.186678872);(345.0974279,1.362434953);(347.1130779,0.7240031536);(373.128728,86.85724697)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.2271897393);(51.0234751,2.697310322);(53.03912516,0.3789069501);(57.03403978,0.4983716957);(77.03912516,1.416079531);(81.03403978,0.2772718615);(103.0547752,3.265259799);(105.0340398,0.7216793779);(107.0496898,1.051355681);(133.0653399,6.997749738);(149.023869,0.5258988328);(211.0606485,9.435194702);(241.0712131,11.08140886);(257.0813839,1.567927513);(267.0868632,0.4687617596);(287.0919486,3.431954734);(291.0868632,1.1824662);(313.1075986,8.102662515);(313.1075986,0.7196590156);(315.0868632,7.368025865);(315.0868632,1.431513754);(317.1025133,3.180117104);(317.1025133,2.258248819);(327.0868632,4.166647045);(331.0817778,0.6900937169);(331.0817778,0.230031239);(343.1181633,12.72907645);(343.1181633,7.928502662);(345.0974279,1.130481707);(347.1130779,1.3138311);(373.128728,3.526321716)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0008079178);(29.00273965,0.0282473671);(31.01838972,0.0028342372);(49.00782503,0.0001279856);(51.0234751,0.0000515683);(55.01838972,0.2671256479);(81.03403978,0.0076122483);(101.0391252,0.0017415798);(103.0183897,0.0001550073);(105.0340398,0.0004576964);(131.0496898,0.2638402959);(209.0449984,0.0034885343);(239.0555631,0.6308115446);(255.0657338,0.0002569997);(259.0606485,0.0007596155);(285.0762985,0.0000886345);(289.0712131,0.013146335);(311.0919486,0.1217617017);(311.0919486,0.0078377428);(313.0712131,0.0428730645);(313.0712131,0.0041622373);(315.0868632,0.0161462791);(315.0868632,0.0129603671);(325.0712131,0.0457321217);(329.0661278,0.0028211645);(329.0661278,0.0084634935);(341.1025133,1.850332422);(341.1025133,1.128469902);(343.0817778,0.3453713381);(345.0974279,1.121570795);(371.1130779,94.06994416)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(29.00273965,0.0552046251);(31.01838972,0.038531587);(49.00782503,0.0049228519);(51.0234751,0.0028851866);(55.01838972,0.1127433765);(75.0234751,0.0014881415);(81.03403978,0.1645155083);(101.0391252,0.0115226408);(103.0183897,0.0053987434);(105.0340398,0.0051605028);(131.0496898,0.6253215023);(209.0449984,0.0624857851);(239.0555631,1.494181958);(255.0657338,0.0731293559);(259.0606485,0.1033719805);(285.0762985,0.0148720137);(289.0712131,0.1386430379);(311.0919486,2.326880335);(311.0919486,0.2641172282);(313.0712131,0.4419515668);(313.0712131,0.0505371015);(315.0868632,0.3596690976);(315.0868632,0.1826285185);(325.0712131,0.7518939631);(329.0661278,0.0850743215);(329.0661278,0.2552229646);(341.1025133,7.78626426);(341.1025133,5.40543026);(343.0817778,3.526735342);(345.0974279,2.417353648);(371.1130779,73.2318626)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(25.00782503,0.2565965855);(49.00782503,0.6258206663);(51.0234751,0.3628069202);(55.01838972,4.222948967);(75.0234751,1.076205435);(81.03403978,0.3546061827);(101.0391252,2.537375907);(103.0183897,0.8406580392);(105.0340398,1.505085305);(131.0496898,5.808539012);(209.0449984,4.461617499);(239.0555631,7.908469064);(255.0657338,9.589974773);(259.0606485,8.89727236);(265.0712131,0.2178965709);(285.0762985,1.48854089);(289.0712131,1.80201993);(311.0919486,11.69524967);(311.0919486,1.375183574);(313.0712131,2.267216297);(313.0712131,0.3559870682);(315.0868632,2.394077074);(315.0868632,0.9511600764);(325.0712131,3.435187991);(329.0661278,0.3831034884);(329.0661278,1.149310465);(341.1025133,11.11346112);(341.1025133,4.01402167);(343.0817778,2.025662848);(345.0974279,2.381294196);(371.1130779,4.502650361)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(356.09014,5.0);(371.11362,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(239.0561,10.0);(328.09523,69.0);(356.09014,55.0);(371.11362,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(373.12817,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(330.10978,1.0);(358.1047,11.0);(373.12817,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(77.03857,5.0);(91.05422,8.0);(123.08044,4.0);(133.06479,14.0);(137.02332,10.0);(150.03114,16.0);(151.03897,22.0);(285.11213,9.0);(287.0914,17.0);(299.0914,85.0);(312.09922,41.0);(330.10978,100.0);(357.09687,47.0);(358.1047,35.0);(373.12817,15.0)

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
	Tangeretin		Tangeretin	rat	plasma, urine	unchanged	3h-5h	2-5µmol/L	<1%	C₂₀H₂₀O₇	372.120902984		Publications
	Tangeretin		4 '-Demethyltangeretin	Not Available	urine	host-gut microbiota co-metabolite	No data	>20µmol/L	No data	C₁₉H₁₈O₇	358.10525292		Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Tangeretin