precursor

Showing entry for 7,3',4'-Trihydroxyflavone

Identification

PhytoHub ID
PHUB000859
Name
7,3',4'-Trihydroxyflavone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
270.24
Monoisotopic Mass
270.052823422
Chemical Formula
C15H10O5
IUPAC Name
2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
InChI Key
PVFGJHYLIHMCQD-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H
SMILES
OC1=CC2=C(C=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.04e-01 g/l
LogS (ALOGPS)
-3.42
LogP (ALOGPS)
3.07
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
72.91390000000001
Polarizability
26.82806939561079
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.372639914119746
pKa (strongest acidic)
6.50319266243559
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

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
Flavones
Direct Parent Name
Flavones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "4'-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Catechols", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives"]
External Descriptor Annotations
["Flavones and Flavonols"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4'-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(94.04131312,4.332984989);(95.04913772,1.654447712);(108.020578,2.177996571);(109.0284026,1.655774466);(110.0362272,2.458874224);(120.020578,5.161157032);(121.0284026,2.383337818);(133.0284026,1.530276458);(134.0362272,5.87472313);(135.0440518,3.334569706);(136.0154921,1.193484721);(136.0518764,1.514041325);(202.0260554,1.093960104);(224.0104062,1.368781293);(226.0260554,2.963740475);(228.0417046,5.644877365);(229.0495292,3.463040244);(238.0260554,1.84025884);(239.03388,1.994778371);(240.0417046,5.262471085);(241.0495292,4.802796184);(242.0209695,1.617140495);(242.0573538,9.401426724);(243.0607448,1.501545788);(252.0417046,4.045974485);(253.0495292,4.40548776);(254.0209695,1.956366343);(255.0287941,2.190964676);(269.0444433,2.4799713);(270.0522679,9.130795736);(271.0556584,1.563954583)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(73.04679982,9.893163295);(74.04796012,0.8465207488);(149.0417139,0.8413200486);(164.0651877,0.9132038108);(165.0730123,1.999020421);(209.0628405,2.368909781);(263.091801,2.036397907);(277.1074502,0.9224773622);(278.1152748,1.084740672);(279.0867151,1.457081963);(279.1230994,1.866870728);(289.0710659,1.263320805);(305.1023643,1.030779514);(370.105103,0.8547798293);(384.1207522,1.250026717);(385.1285768,3.364683672);(386.1308084,1.111681652);(399.1078417,4.326374855);(400.1100719,1.429745474);(412.1156663,0.9691266896);(413.1234909,3.807571424);(414.1257615,1.30205958);(414.1313155,3.221666009);(415.1335879,1.102183231);(415.1391401,1.87271308);(443.1524514,2.079800648);(458.1759252,1.386086013);(470.1395409,1.000167213);(471.1473655,6.158774486);(472.1493741,2.561361326);(473.1477092,1.183922771)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(94.04131312,1.54123387);(108.020578,1.250320498);(109.0284026,0.866592133);(110.0362272,1.777952627);(120.020578,4.415354046);(121.0284026,1.506603778);(131.0127534,0.6924492368);(133.0284026,1.077148368);(134.0362272,4.721730929);(135.0440518,2.612175343);(136.0154921,0.9051066633);(136.0518764,0.9105847006);(137.0233167,0.6689451303);(160.0154921,0.6831614796);(161.0233167,0.676253353);(226.0260554,1.702790066);(228.0417046,3.614017713);(229.0495292,1.958482965);(238.0260554,1.053662519);(239.03388,1.223943424);(240.0417046,3.888129378);(241.0495292,3.121562575);(242.0209695,0.8389522495);(242.0573538,7.306376978);(243.0607448,1.166935605);(252.0417046,2.440449724);(253.0495292,2.657300838);(254.0209695,1.145851078);(255.0287941,1.31996353);(270.0522679,5.331940073);(271.0556584,0.9132733174)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(94.04131312,1.54123387);(108.020578,1.250320498);(109.0284026,0.866592133);(110.0362272,1.777952627);(120.020578,4.415354046);(121.0284026,1.506603778);(131.0127534,0.6924492368);(133.0284026,1.077148368);(134.0362272,4.721730929);(135.0440518,2.612175343);(136.0154921,0.9051066633);(136.0518764,0.9105847006);(137.0233167,0.6689451303);(160.0154921,0.6831614796);(161.0233167,0.676253353);(226.0260554,1.702790066);(228.0417046,3.614017713);(229.0495292,1.958482965);(238.0260554,1.053662519);(239.03388,1.223943424);(240.0417046,3.888129378);(241.0495292,3.121562575);(242.0209695,0.8389522495);(242.0573538,7.306376978);(243.0607448,1.166935605);(252.0417046,2.440449724);(253.0495292,2.657300838);(254.0209695,1.145851078);(255.0287941,1.31996353);(270.0522679,5.331940073);(271.0556584,0.9132733174)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.215908,0.00004403);(50.238045,0.00002725);(50.393292,0.00003729);(50.438045,0.00003771);(50.575083,0.00004537);(50.898133,0.00001617);(51.045446,0.00002878);(51.430803,0.0000245);(51.538739,0.0000313);(51.574674,0.00003092);(51.611631,0.0000217);(51.738512,0.00002337);(52.002956,0.00002695);(52.022606,0.00002991);(52.11491,0.00002833);(52.151036,0.00002532);(52.729568,0.00001904);(53.475146,0.0000251);(53.516551,0.00004035);(53.526184,0.00002749);(53.53241,0.00002469);(53.991812,0.0000223);(54.448581,0.00002394);(55.063323,0.00003141);(55.096542,0.00002429);(55.411047,0.00002799);(55.500692,0.0000286);(55.790501,0.00003073);(56.042989,0.00003369);(56.125677,0.00002977);(56.529716,0.00002761);(57.054483,0.00002493);(57.410859,0.00002187);(57.516411,0.00002172);(58.009863,0.00003216);(58.138861,0.00002685);(58.161344,0.000038);(58.493702,0.00003667);(58.951318,0.00003691);(59.165713,0.00003227);(59.587051,0.0000272);(60.330348,0.00002258);(61.030319,0.00003226);(61.171227,0.00002857);(61.319239,0.00001626);(61.379876,0.00003934);(61.622129,0.00004089);(61.811149,0.00002382);(61.817478,0.00003197);(61.883294,0.00003256);(61.959445,0.00002722);(62.979166,0.00003298);(63.034526,0.00003141);(63.127996,0.00003533);(63.130482,0.00003012);(63.208116,0.00003042);(63.24893,0.00003082);(63.610988,0.00004476);(63.622312,0.00003181);(63.935147,0.00003242);(64.05334,0.00002366);(64.49724,0.00002279);(64.671977,0.00003811);(64.748449,0.00002062);(64.975977,0.00002715);(65.002355,0.00001628);(65.009596,0.00002893);(65.465988,0.0000247);(65.751769,0.00002598);(65.817486,0.00003561);(65.880987,0.00002322);(66.213611,0.00003881);(66.967852,0.00003372);(67.062641,0.00003345);(67.064961,0.0000373);(67.137106,0.00006374);(67.169852,0.00001706);(67.193805,0.00003311);(67.386385,0.00004498);(67.388113,0.00003951);(67.718195,0.00002077);(68.094156,0.00004262);(68.90919,0.00003195);(68.996379,0.00002018);(69.409439,0.00003537);(69.556663,0.00004422);(69.865508,0.00002822);(70.10346,0.00003338);(70.15364,0.00002922);(70.426668,0.0000235);(70.743033,0.00004599);(70.765114,0.00002918);(71.489809,0.00003493);(71.727364,0.00003165);(71.847141,0.00002136);(72.52404,0.00003185);(72.599385,0.00003332);(73.744379,0.00003333);(73.764809,0.0000376);(74.457644,0.00002982);(74.613817,0.00001686);(75.072761,0.00002237);(75.228903,0.0000381);(77.412906,0.00003195);(77.869385,0.00002528);(77.94424,0.00002634);(78.187583,0.00003074);(78.223127,0.00003379);(78.69479,0.00002795);(78.984527,0.0000177);(79.238293,0.00002814);(79.245943,0.00004403);(79.956094,0.0000217);(80.834103,0.00002692);(80.963761,0.00005853);(81.119784,0.00003095);(81.450888,0.00002741);(83.126063,0.00002255);(83.35846,0.00004354);(84.04296,0.00002697);(84.133643,0.0000379);(84.666977,0.000032);(84.780305,0.00001849);(85.201173,0.00002085);(85.263012,0.00003059);(86.323694,0.00003051);(86.406387,0.00002597);(87.009539,0.00003338);(88.085829,0.00002767);(88.231397,0.0000247);(88.366746,0.00002129);(88.695491,0.00002128);(89.549391,0.00002023);(90.452845,0.00004261);(90.561587,0.00002996);(90.732847,0.00003955);(91.017646,0.00621);(91.50931,0.00003343);(92.280212,0.00003329);(92.549032,0.00003316);(93.334504,0.00002716);(93.457508,0.00003809);(93.622709,0.00002142);(94.182966,0.00002987);(94.486579,0.00002958);(95.155186,0.00002744);(96.05933,0.00002764);(96.450452,0.00002953);(96.468887,0.00002139);(96.601145,0.00004304);(96.674773,0.00003339);(96.806739,0.00004092);(96.860525,0.00003065);(97.101325,0.00003251);(97.513685,0.00002506);(97.567327,0.00002267);(98.349614,0.00002689);(98.360293,0.00002502);(98.954638,0.00005012);(101.023308,0.0000389);(102.231254,0.00004375);(103.360335,0.00003651);(103.610716,0.00003348);(103.67719,0.00002042);(104.120155,0.00003908);(105.251092,0.00001676);(105.394326,0.00002665);(105.758384,0.00003892);(106.207891,0.00002557);(106.975178,0.00003203);(107.012341,0.00003405);(107.775543,0.00001891);(108.020546,0.00015607);(108.065903,0.00003923);(108.400775,0.00003485);(109.028191,0.0018125);(110.15341,0.00004307);(111.126742,0.00002316);(111.942505,0.00003387);(113.142089,0.00003759);(113.88996,0.00002361);(114.102991,0.00001666);(118.26197,0.00002303);(118.296527,0.00003555);(119.428318,0.00002237);(119.533423,0.00002438);(121.028397,0.00008766);(121.150344,0.00003598);(121.30957,0.00003629);(122.046438,0.00003327);(122.050244,0.00002561);(123.043723,0.000033);(123.85575,0.00003515);(123.897994,0.00002922);(125.50618,0.00003968);(128.488876,0.00004338);(128.602997,0.00002155);(129.732473,0.00003811);(130.482949,0.00002283);(130.683374,0.00003778);(131.657736,0.0000361);(132.020613,0.00049855);(132.188584,0.00003387);(132.296024,0.00002483);(133.028315,0.17028252);(134.031703,0.01338957);(134.22849,0.00003086);(135.007649,0.09816938);(135.98182,0.00002523);(136.010927,0.00676524);(136.085627,0.00003685);(137.694696,0.00002374);(137.830176,0.00003948);(138.101154,0.00003899);(139.093971,0.00003128);(140.146452,0.00002316);(140.334958,0.00005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LC-MS/MSLC-ESI-QFTPositivemediumView 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LC-MS/MSLC-ESI-QFTNegativehighView 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LC-MS/MSLC-ESI-QFTNegativehighView 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LC-MS/MSLC-ESI-QFTPositivehighView 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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.289259,0.00015798);(50.298229,0.00014962);(50.302817,0.0001432);(50.355084,0.00009174);(50.729896,0.00018708);(51.207241,0.00017794);(51.268717,0.00018195);(51.294477,0.00009916);(51.309984,0.00016296);(51.362512,0.00015807);(51.475926,0.00008902);(51.481451,0.00012315);(51.535,0.00026376);(51.550405,0.0001233);(51.612621,0.00007035);(51.659408,0.00017105);(51.848156,0.00012293);(51.889939,0.00007936);(51.892303,0.00011994);(52.031608,0.00023503);(52.07207,0.00017117);(52.227868,0.00009874);(52.461917,0.00013583);(52.650705,0.00018274);(52.861649,0.0001848);(53.018996,0.00020764);(53.376361,0.00021193);(53.494352,0.00122874);(53.495707,0.00042028);(53.554076,0.00014567);(53.556646,0.00017196);(53.631925,0.00033167);(53.748273,0.00013558);(53.776034,0.00016619);(54.118684,0.00018381);(54.292645,0.00019641);(54.514504,0.00039275);(54.547449,0.00016222);(54.556464,0.00013375);(54.56167,0.00014825);(54.565755,0.00012758);(54.667883,0.00014059);(54.739111,0.00015979);(54.924061,0.00016568);(54.990527,0.00017191);(55.068326,0.00013937);(55.130657,0.00015257);(55.238773,0.00012526);(55.495107,0.00014171);(55.544654,0.00011565);(55.723802,0.00016554);(55.822772,0.00015581);(55.863168,0.00023316);(55.931589,0.00015462);(55.93512,0.04821694);(56.253947,0.00024607);(56.256468,0.00013319);(56.732011,0.0001642);(56.831855,0.00009349);(56.85152,0.00015639);(56.914862,0.00027021);(56.94297,0.00736956);(56.965544,0.00065972);(56.974064,0.00015929);(57.046488,0.00035132);(57.541337,0.00006479);(57.935522,0.01175788);(58.0281,0.00046841);(58.177118,0.00014524);(58.357459,0.00015806);(58.865157,0.00013339);(59.197276,0.00013681);(59.242226,0.00015608);(59.695335,0.000118);(59.876408,0.00023814);(59.903893,0.00018181);(60.021061,0.00050569);(60.13493,0.00041059);(60.221755,0.00019412);(60.255607,0.00009325);(60.371689,0.00016136);(61.011347,0.80868834);(61.029534,0.00023451);(61.296627,0.00012755);(61.404057,0.00014878);(61.493685,0.00012986);(61.713348,0.00014093);(62.010753,0.0009452);(62.014713,0.01173575);(62.019176,0.0412126);(62.613241,0.0001415);(62.64124,0.00010018);(63.005217,0.0002148);(63.007132,0.01454208);(63.027005,0.04343693);(63.154902,0.00016866);(63.414963,0.00013372);(63.478389,0.00016915);(63.530123,0.00019789);(63.634516,0.00037546);(63.998465,0.00025354);(64.347693,0.00016676);(64.642891,0.00014797);(64.673057,0.00015667);(64.680915,0.00014409);(65.039264,0.02310814);(65.707658,0.00010771);(66.04258,0.00009142);(66.226568,0.0001683);(66.368318,0.00012778);(66.638692,0.00011687);(66.689691,0.00006489);(66.81089,0.00029496);(66.869592,0.00018022);(66.900188,0.00024392);(67.062954,0.00027553);(67.57879,0.00030937);(67.750436,0.0001919);(67.843983,0.00018982);(67.944642,0.00007536);(68.185213,0.00019951);(68.293504,0.00010101);(68.388445,0.00017842);(68.963255,0.0031553);(68.997765,0.00053192);(69.06265,0.00015151);(69.083671,0.0001364);(69.194269,0.00011051);(69.345748,0.00005605);(69.643565,0.00019658);(69.72978,0.00018262);(69.961632,0.00289586);(70.942302,0.0004713);(70.958501,0.47827625);(71.18686,0.00016104);(71.245911,0.00008625);(71.268878,0.00047235);(71.272713,0.00031354);(71.929925,0.02050304);(71.95898,0.00399831);(71.961974,0.00033784);(72.194656,0.00027135);(72.305355,0.00014259);(72.456085,0.00018382);(72.490226,0.00014441);(72.765335,0.00019693);(72.937759,0.16423565);(72.958994,0.00031988);(73.077401,0.00016885);(73.378826,0.00011486);(73.660764,0.00019395);(73.930376,0.00008317);(73.94562,0.00171916);(74.103327,0.00006067);(74.230496,0.00035369);(74.815622,0.00022792);(74.86056,0.00012952);(74.892193,0.00011526);(74.905752,0.00008796);(74.953402,0.00159452);(74.977419,0.0003654);(75.044815,0.00020627);(75.552456,0.00016141);(75.946002,0.01005115);(76.403285,0.00012501);(76.641752,0.00021695);(76.784289,0.00017864);(77.228972,0.00038854);(77.251896,0.00017556);(77.665846,0.00023948);(77.722266,0.00038737);(77.728012,0.00006142);(77.905708,0.00023826);(78.385493,0.00019405);(78.402426,0.00023755);(78.824651,0.00050452);(78.849016,0.00011944);(79.021824,0.01447766);(79.417471,0.00020911);(79.72909,0.0002376);(79.890307,0.00016428);(80.112825,0.00015672);(80.62278,0.00018826);(80.779363,0.00016595);(81.034006,0.00036399);(81.098886,0.00021005);(81.16135,0.00009088);(81.18793,0.00017792);(81.404856,0.0001643);(81.756989,0.00016563);(82.503197,0.00019428);(82.694976,0.00013995);(83.36192,0.00006727);(83.676636,0.00035819);(83.985748,0.00014664);(84.815473,0.00017844);(85.215792,0.00032191);(85.397321,0.00008563);(85.651554,0.00006894);(85.79852,0.00016216);(85.867096,0.00012438);(85.912053,0.00040223);(86.41459,0.00041415);(86.469532,0.00006714);(86.613443,0.00034639);(86.953312,0.01441918);(87.854898,0.00014313);(87.906959,0.0154701);(88.638347,0.00005574);(88.914823,0.00892304);(88.932721,0.00020556);(88.96897,0.0747411);(89.010317,0.00017632);(89.039177,0.0000707);(89.303689,0.00018881);(89.940377,0.03253285);(90.710758,0.00013434);(90.937193,0.00015096);(90.948184,0.08676229);(92.3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LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(133.028,0.058);(135.007,0.028);(269.044,1.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(91.018,0.08);(105.032,0.012);(109.026,0.011);(132.02,0.021);(133.028,0.81);(133.127,0.012);(135.007,0.319);(161.022,0.014);(169.063,0.024);(183.04,0.012);(195.043,0.026);(196.049,0.019);(197.058,0.054);(199.038,0.025);(201.053,0.054);(208.048,0.011);(211.036,0.01);(213.054,0.07);(223.034,0.013);(224.046,0.041);(225.054,0.075);(226.025,0.015);(227.033,0.056);(240.04,0.018);(241.049,0.094);(251.032,0.014);(269.044,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(81.034,0.011);(105.032,0.011);(105.035,0.01);(133.028,0.012);(135.044,0.012);(137.024,0.421);(137.126,0.013);(141.07,0.021);(149.023,0.028);(161.023,0.064);(169.065,0.037);(175.038,0.015);(181.064,0.034);(187.075,0.033);(197.059,0.092);(201.054,0.037);(215.07,0.304);(225.054,0.248);(229.049,0.018);(243.065,0.073);(253.049,0.113);(270.048,0.013);(271.06,1.0)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(53.04,0.064);(55.018,0.024);(55.02,0.025);(63.024,0.04);(65.038,0.017);(65.04,0.175);(68.998,0.122);(77.039,0.282);(79.055,0.078);(81.034,0.469);(81.114,0.012);(89.04,0.509);(89.124,0.01);(91.055,0.08);(92.025,0.04);(93.034,0.048);(103.053,0.016);(105.034,0.258);(107.05,0.122);(109.028,0.095);(115.055,0.421);(116.062,0.022);(117.033,0.092);(117.062,0.022);(117.068,0.045);(119.049,0.015);(120.02,0.015);(121.028,0.076);(127.054,0.11);(128.061,0.028);(129.069,0.025);(131.048,0.03);(131.083,0.025);(133.03,0.017);(134.036,0.019);(135.044,0.058);(137.024,1.0);(137.125,0.032);(139.055,0.017);(141.07,0.73);(141.174,0.017);(144.056,0.091);(145.064,0.041);(147.044,0.134);(149.022,0.024);(151.053,0.084);(152.062,0.089);(153.069,0.021);(155.048,0.063);(157.064,0.011);(159.078,0.017);(161.023,0.065);(168.056,0.111);(169.065,0.354);(171.042,0.016);(172.05,0.021);(173.056,0.015);(173.061,0.031);(175.038,0.037);(179.037,0.036);(181.063,0.034);(183.044,0.013);(187.073,0.039);(196.051,0.055);(197.059,0.526);(197.183,0.016);(198.067,0.01);(200.046,0.125);(201.053,0.042);(213.053,0.053);(215.069,0.084);(224.046,0.081);(225.054,0.322);(229.049,0.01);(253.05,0.049)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(65.002,0.03);(77.038,0.065);(89.038,0.041);(91.018,0.237);(92.025,0.014);(104.025,0.033);(105.033,0.071);(115.017,0.034);(132.02,0.257);(133.028,1.0);(133.131,0.016);(134.03,0.011);(135.007,0.051);(143.048,0.019);(167.048,0.039);(171.042,0.015);(182.032,0.011);(183.043,0.026);(184.05,0.013);(185.056,0.014);(195.043,0.062);(196.051,0.02);(211.038,0.055);(213.054,0.03);(223.038,0.037);(224.044,0.017);(239.032,0.018)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(43.01838972,0.0244349665);(55.01838972,0.1242861791);(57.03403978,0.0603280302);(69.03403978,0.0389878457);(83.01330434,0.1190041546);(85.0289544,0.0352177794);(95.04968984,0.1383986421);(109.0289544,2.146215592);(121.0289544,0.0274177083);(133.0289544,0.2426580624);(135.0446045,0.1725646899);(137.023869,0.6066919006);(139.0395191,0.0321502056);(151.0395191,0.1384115427);(163.0395191,0.2470781602);(177.0187836,0.0515894306);(187.0395191,0.1626968277);(189.0551691,0.0501764892);(213.0551691,0.0517283359);(215.0344337,0.0894684457);(217.0500838,0.1609445709);(223.0395191,0.0312547621);(227.0344337,0.2831654857);(229.0500838,0.3881335166);(239.0344337,0.2285812395);(241.0500838,0.7289224415);(243.0293483,0.3525071296);(245.0449984,0.1282698191);(253.0500838,14.22832695);(255.0293483,0.3255535745);(271.0606485,78.58483552)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,0.2744738263);(55.01838972,0.7060515245);(57.03403978,0.3062415372);(79.01838972,0.5930236469);(83.01330434,0.2381049631);(95.04968984,0.4621659564);(109.0289544,4.62262694);(121.0289544,0.9072896595);(133.0289544,0.2779750498);(135.0446045,0.2740458607);(137.023869,0.8609543181);(161.023869,0.2058358037);(163.0395191,0.26510533);(187.0395191,1.068162333);(189.0551691,0.5420531691);(197.0602545,0.3032669701);(203.0344337,0.2865038281);(213.0551691,0.958590696);(215.0344337,0.3862754296);(215.0708192,0.9327023139);(217.0500838,0.8881986149);(223.0395191,0.7062414922);(227.0344337,1.164432107);(229.0500838,2.165568287);(239.0344337,0.9369340168);(241.0500838,9.141824687);(243.0293483,0.513757473);(245.0449984,0.5138227722);(253.0500838,18.56922832);(255.0293483,0.5660466288);(271.0606485,50.36249645)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(51.0234751,7.523113745);(53.03912516,2.528505498);(55.01838972,2.894066798);(65.03912516,2.45961117);(67.01838972,1.450180295);(77.03912516,1.757799769);(79.01838972,4.001447484);(83.01330434,1.565473344);(91.01838972,1.366681901);(95.01330434,1.499333944);(95.04968984,1.746216282);(109.0289544,8.725512109);(121.0289544,5.931942298);(133.0289544,3.787683496);(135.0446045,1.473575489);(137.023869,7.266809415);(163.0395191,2.086017281);(171.0446045,1.624447045);(187.0395191,1.373325245);(197.0602545,8.080932075);(199.0395191,1.776305412);(211.0395191,2.497959783);(213.0551691,1.796732229);(217.0500838,1.106393083);(223.0395191,2.221257885);(227.0344337,3.117075536);(229.0500838,2.040426178);(241.0500838,1.377871677);(243.0293483,0.8999110808);(245.0449984,1.06041333);(253.0500838,12.96297912)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(17.00273965,0.1446915138);(41.00273965,0.0767804934);(53.00273965,0.086072098);(55.01838972,0.0883535894);(83.01330434,0.0169701332);(93.03403978,0.0200746296);(107.0133043,0.068072975);(109.0289544,0.1314957684);(119.0133043,0.0261552832);(131.0133043,0.029395147);(133.0289544,0.2576590093);(135.008219,0.6205632658);(137.023869,0.0497751949);(149.023869,0.361692125);(161.023869,0.2894792788);(185.023869,0.0297097218);(187.0395191,0.028241408);(201.0187836,0.0429181844);(211.0395191,0.2203774125);(213.0187836,0.123389721);(213.0551691,0.0686812802);(215.0344337,0.1064626059);(225.0187836,0.1008201079);(227.0344337,0.5975980563);(237.0187836,0.0235398261);(239.0344337,0.4038833238);(241.0136983,0.10604246);(243.0293483,0.4156545268);(251.0344337,3.940170708);(253.0136983,0.034745188);(269.0449984,91.49053496)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(17.00273965,0.1166964334);(41.00273965,0.4654810639);(53.00273965,0.2246151158);(55.01838972,0.4026224858);(83.01330434,0.2403297327);(93.03403978,0.1092529908);(107.0133043,0.2107427093);(109.0289544,0.3310018336);(119.0133043,0.9176311225);(133.0289544,0.6104188553);(135.008219,1.551211558);(137.023869,0.1310642176);(149.023869,0.2129671916);(159.008219,0.2509757139);(161.023869,1.4678101);(185.023869,0.4252354456);(187.0395191,0.0877599977);(201.0187836,0.3378304316);(211.0395191,1.909570418);(213.0187836,0.1684643874);(213.0551691,0.6722515851);(215.0344337,0.5087090193);(225.0187836,2.434729308);(227.0344337,5.109582545);(237.0187836,0.5580084294);(239.0344337,1.140657589);(241.0136983,0.7977376914);(243.0293483,0.9255853338);(251.0344337,4.772783825);(253.0136983,0.1889408863);(269.0449984,72.71933198)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,1.926531959);(49.00782503,2.758488998);(63.0234751,1.564948738);(65.00273965,1.136803876);(67.01838972,4.160001022);(75.0234751,1.225918477);(77.00273965,1.23234774);(91.01838972,2.64584843);(92.99765427,2.290725522);(93.03403978,4.574613005);(107.0133043,2.711900309);(109.0289544,2.87816366);(119.0133043,11.73237012);(131.0133043,2.731321107);(133.0289544,5.814135181);(135.008219,9.422050621);(137.023869,1.210503606);(149.023869,2.447556304);(159.008219,1.523349951);(161.023869,1.867607105);(185.023869,4.904068258);(197.023869,1.488243089);(201.0187836,2.03810949);(211.0395191,1.624704286);(215.0344337,1.764161728);(225.0187836,2.791111449);(227.0344337,5.000465587);(239.0344337,3.558022782);(251.0344337,6.190997297);(253.0136983,1.286798184);(269.0449984,3.498132121)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(269.04554,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(225.05571,4.0);(269.04554,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(135.00876,56.0);(175.04006,100.0);(201.05571,6.0);(201.05571,6.0);(211.04006,8.0);(225.05571,13.0);(269.04554,38.0)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(271.06009,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(271.06009,100.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(135.04405,45.0);(137.02332,100.0);(139.03897,21.0);(139.03897,21.0);(213.05462,23.0);(225.05462,15.0);(271.06009,85.0)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
7,4'-Dihydroxyflavone 7,3',4'-Trihydroxyflavoneratplasma, urinegut microbiota metabolite1h-3h20-50 nmol/L<1%C15H10O5270.052823422 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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