precursor

Showing entry for Fisetin

Identification

PhytoHub ID
PHUB000657
Name
Fisetin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
286.239
Monoisotopic Mass
286.047738042
Chemical Formula
C15H10O6
IUPAC Name
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
InChI Key
XHEFDIBZLJXQHF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
SMILES
OC1=CC=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.51e-01 g/l
LogS (ALOGPS)
-3.28
LogP (ALOGPS)
2.03
Hydrogen Acceptors
6
Hydrogen Donors
4
Rotatable Bond Count
1
Polar Surface Area
107.22000000000001
Refractivity
74.8813
Polarizability
27.64583811982414
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.856247726581812
pKa (strongest acidic)
6.3180160019747795
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
Flavonols

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavones
Direct Parent Name
Flavonols
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "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
["3'-hydroxyflavonoid", "7-hydroxyflavonol", "Flavones and Flavonols", "flavonols", "tetrahydroxyflavone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Chromone", "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(94.04131312,4.80408538);(95.04913772,1.552443109);(96.05696232,1.964782499);(108.020578,2.015865731);(109.0284026,1.443334028);(120.020578,5.89060304);(121.0284026,5.050429683);(122.0362272,3.452497202);(123.0440518,1.617738055);(136.0154921,2.48198503);(137.0233167,1.954876852);(138.0311413,1.868926339);(148.0154921,2.331695898);(149.0233167,4.260142446);(150.0311413,4.415714212);(151.0389659,1.934584501);(228.0417046,2.240943629);(229.0495292,2.019815662);(230.0573538,2.86904299);(242.0209695,2.212963759);(244.0366187,1.560670265);(254.0209695,2.239366953);(255.0287941,2.33560501);(256.0366187,5.454990943);(257.0444433,5.707731647);(258.0522679,9.30372709);(259.0556608,1.489429723);(268.0366187,4.162282638);(269.0444433,3.345239332);(285.0393574,1.931983206);(286.047182,6.08650315)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(121.0275,159.0);(135.0067,216.0);(149.022,31.0);(163.0021,127.0);(227.0353,47.0);(229.0496,83.0);(241.0494,67.0);(255.027,999.0);(256.0302,147.0);(257.0395,88.0);(283.0201,114.0);(284.0235,42.0);(285.0353,557.0);(286.0381,76.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(135.0083,24.0);(163.0033,23.0);(190.9983,14.0);(255.03,238.0);(256.0331,29.0);(257.0436,14.0);(283.0249,999.0);(284.028,134.0);(285.0401,359.0);(286.0432,46.0);(301.0351,115.0);(302.0382,15.0);(569.0715,13.0);(589.0381,12.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(135.0083,24.0);(163.0033,23.0);(190.9983,14.0);(255.03,238.0);(256.0331,29.0);(257.0436,14.0);(283.0249,999.0);(284.028,134.0);(285.0401,359.0);(286.0432,46.0);(301.0351,115.0);(302.0382,15.0);(569.0715,13.0);(589.0381,12.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(121.0275,159.0);(135.0067,216.0);(149.022,31.0);(163.0021,127.0);(227.0353,47.0);(229.0496,83.0);(241.0494,67.0);(255.027,999.0);(256.0302,147.0);(257.0395,88.0);(283.0201,114.0);(284.0235,42.0);(285.0353,557.0);(286.0381,76.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(135.0083,24.0);(163.0033,23.0);(190.9983,14.0);(255.03,238.0);(256.0331,29.0);(257.0436,14.0);(283.0249,999.0);(284.028,134.0);(285.0401,359.0);(286.0432,46.0);(301.0351,115.0);(302.0382,15.0);(569.0715,13.0);(589.0381,12.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(121.0278,999.0);(135.0066,703.0);(143.0488,319.0);(171.0438,345.0);(210.0318,310.0);(226.0268,867.0);(227.0338,588.0);(229.0503,337.0);(255.0267,485.0)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(163.0033,1.898006);(285.0412,100.0);(286.0445,18.031058);(287.0469,2.26227)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(121.0297,11.608266);(135.0087,13.369272);(149.0245,8.230009);(153.0195,24.222821);(154.0226,2.533693);(163.0038,30.440252);(164.0075,2.407907);(213.0563,2.30009);(229.051,4.204852);(241.051,4.707996);(257.0459,10.440252);(258.0494,2.048518);(285.0407,100.0);(286.0446,17.556155);(287.0463,2.587601)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(91.0193,6.994127);(121.0294,82.9685);(122.0318,8.061933);(135.0086,78.216765);(136.0119,7.100908);(139.0401,22.851041);(149.0243,60.811532);(150.0277,8.489055);(153.0194,100.0);(163.0034,31.873999);(185.0608,7.047517);(211.0398,10.090763);(213.0549,7.955152);(229.0507,48.318206);(230.0538,8.115323);(240.0407,6.086492);(241.0501,11.799253);(257.0457,14.201815);(285.0402,73.358249);(286.0436,13.24079)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(91.0192,14.749403);(93.0348,11.264916);(109.0303,7.875895);(121.0292,100.0);(122.0321,8.066826);(135.0088,50.071599);(139.0399,43.054893);(140.0431,6.73031);(148.0166,8.210024);(149.0244,34.272076);(153.0193,37.852029);(163.003,5.346062);(183.0457,6.921241);(184.0521,4.821002);(185.0611,13.317422);(195.0452,4.821002);(201.0554,5.966587);(211.0402,18.806683);(227.034,6.539379);(229.0506,29.451074);(230.0531,5.298329);(239.0359,8.687351);(240.042,7.25537);(285.0405,6.443914)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(91.0195,29.298246);(93.035,32.982456);(121.0293,100.0);(122.0325,14.298246);(135.0088,28.859649);(139.0397,43.070175);(149.0237,14.385965);(153.0192,18.77193);(167.0511,9.561404);(182.0375,10.438596);(183.0451,14.736842);(185.0614,12.017544);(211.0395,21.578947);(239.0349,13.157895)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(107.2319,0.773579);(111.8295,1.487652);(121.0287,4.760488);(135.0093,12.496281);(149.0232,1.309134);(163.0029,15.352574);(164.9206,0.714073);(195.0533,0.595061);(241.0448,0.743826);(256.0337,1.160369);(257.0454,2.945552);(265.1806,0.654567);(284.0227,0.68432);(284.2659,3.748884);(284.2802,0.624814);(285.0405,100.0)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(227.0021,3.10192);(229.0526,19.645495);(240.049,3.249631);(241.0446,3.840473);(241.0615,2.95421);(255.0241,3.692762);(256.0315,4.283604);(256.0396,9.601182);(257.0475,24.076809);(268.0424,4.431315);(284.2687,5.908419);(285.0395,100.0)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(91.179926,1.311638);(121.232213,2.635282);(135.156018,58.19367);(149.185115,2.11998);(163.071747,100.0);(176.070499,1.296669);(177.092608,1.416574);(195.135864,1.813931);(197.151715,1.145705);(201.146891,0.520409);(211.146688,1.153384);(212.129916,0.513873);(213.134177,4.098215);(223.125725,4.210892);(229.142483,5.448066);(239.125497,1.652536);(240.109946,0.948702);(241.112452,16.076694);(256.107698,0.622416);(257.09869,21.140656);(267.07524,1.539188);(285.100552,1.878569);(286.092915,1.363325)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(91.263425,1.17276);(121.333267,2.473186);(135.218944,58.763772);(149.253562,2.2876);(163.099274,100.0);(176.104222,1.396604);(177.119124,1.680997);(195.157951,2.052632);(197.178379,1.182789);(201.171041,0.683349);(211.171724,1.38469);(212.15983,0.561648);(213.163274,4.523036);(223.145656,4.397467);(229.165052,6.427745);(239.145817,1.902384);(240.136915,1.000662);(241.131926,16.308468);(256.128841,0.590458);(257.112877,21.488203);(267.079045,1.631686);(285.11016,6.37092);(286.100411,4.237148)
LC-MS/MSLC-ESI-TOFnegativeNot AvailableView Spectrum(121.0275,15.915916);(135.0067,21.621622);(149.022,3.103103);(163.0021,12.712713);(227.0353,4.704705);(229.0496,8.308308);(241.0494,6.706707);(255.027,100.0);(256.0302,14.714715);(257.0395,8.808809);(283.0201,11.411411);(284.0235,4.204204);(285.0353,55.755756);(286.0381,7.607608)
LC-MS/MSLC-ESI-TOFnegativeNot AvailableView Spectrum(121.0278,100.0);(135.0066,70.37037);(143.0488,31.931932);(171.0438,34.534535);(210.0318,31.031031);(226.0268,86.786787);(227.0338,58.858859);(229.0503,33.733734);(255.0267,48.548549)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(287.0547,100.0);(288.058,13.136356);(289.0602,2.072738)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(287.0556,100.0);(288.0588,13.345952);(289.0613,2.006195)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(121.0286,3.520564);(137.0235,14.156028);(149.0233,5.721429);(185.0594,4.491895);(203.0701,1.288961);(213.0542,10.774811);(214.0575,1.377077);(231.0647,5.016496);(241.049,7.684584);(242.0525,1.073792);(258.0519,1.961106);(259.0594,1.743888);(269.0441,4.145577);(287.0547,100.0);(288.0582,14.168323);(289.0601,1.965204)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(93.0342,1.466227);(95.0492,1.194399);(109.0284,2.388797);(111.0442,1.828666);(115.0545,1.326194);(117.0703,1.037891);(121.0286,22.940692);(122.0328,1.581549);(123.0442,5.576606);(128.0622,2.125206);(129.0698,4.744646);(133.0286,1.433278);(137.0236,100.0);(138.0269,8.00659);(139.0543,3.739703);(141.07,2.240527);(145.065,1.655684);(147.0442,2.397035);(149.0235,19.843493);(150.0294,2.454695);(155.0605,1.367381);(157.0649,23.550247);(158.0683,2.668863);(160.0518,1.334432);(161.0599,2.627677);(163.0387,5.823723);(167.0489,3.228995);(168.0558,1.540362);(169.0641,1.21911);(171.044,2.644152);(175.0759,3.15486);(177.0183,1.540362);(179.0334,1.952224);(184.0517,2.331137);(185.0596,37.306425);(186.063,4.843493);(187.0395,1.30972);(189.0545,3.047776);(191.0341,2.660626);(195.0453,3.525535);(197.0594,2.438221);(199.0385,1.021417);(201.0546,1.663921);(203.0703,4.324547);(205.049,1.235585);(212.0465,3.591433);(213.0544,71.622735);(214.0577,8.492586);(216.0415,3.097199);(217.049,1.705107);(223.0385,5.897858);(229.0494,2.52883);(230.0567,1.672158);(231.0646,9.514003);(232.0684,1.186161);(241.0494,23.714992);(242.0531,3.756178);(251.0333,1.046129);(258.0519,5.799012);(259.0591,2.825371);(269.0443,10.889621);(270.0484,1.680395);(287.0548,42.355848);(288.0583,6.680395)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(105.0338,2.568148);(109.0285,4.487685);(111.0444,2.252608);(115.0547,4.259795);(121.0287,24.638443);(123.0444,5.337891);(127.04,3.190464);(128.0624,15.759488);(129.0698,10.062232);(131.0491,2.909983);(137.0236,100.0);(138.027,6.968183);(139.0543,23.402577);(140.0581,2.305198);(141.0697,2.647033);(145.0646,2.489263);(147.0443,3.164169);(149.0236,7.888509);(155.0604,6.863003);(157.0649,41.730213);(158.0683,5.197651);(160.052,2.454203);(163.0389,6.696468);(167.049,4.978526);(168.0565,4.00561);(171.044,2.173722);(184.052,8.598475);(185.0594,25.383469);(186.0634,3.891664);(187.039,3.93549);(195.0451,7.125953);(212.0462,4.47892);(213.0543,45.166097);(214.0577,6.310807);(216.0417,2.629503);(223.0387,4.610395);(229.0495,4.102025);(231.0646,1.910772);(241.0492,6.792883);(269.0442,5.057411);(287.0547,2.550618)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(176.9834,9.90991);(287.0538,100.0)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(137.0198,35.0);(145.0644,20.0);(157.0587,36.0)
LC-MS/MSLinear Ion TrappositiveNot AvailableView Spectrum(93.168449,2.364486);(109.185881,0.82911);(121.195031,17.127279);(137.195659,30.994898);(149.219677,74.162551);(150.189295,1.99892);(157.23471,0.955771);(161.245904,0.821251);(163.201635,1.956948);(169.245074,0.799664);(175.263744,2.607597);(177.177544,1.915844);(179.218729,4.68496);(185.23659,11.145517);(189.223919,2.907281);(191.213625,0.627581);(197.244716,7.109234);(199.226209,1.685958);(203.249385,5.431213);(205.225525,0.774367);(213.265073,94.189075);(214.211276,1.146158);(217.206672,1.573454);(223.214688,1.114842);(225.217711,1.878851);(230.25299,0.617303);(231.21861,70.613873);(232.198039,0.859908);(241.220806,100.0);(242.173646,1.513962);(251.14006,2.762764);(258.171447,9.837882);(259.172608,19.289887);(269.137925,48.233995);(270.125782,1.173554);(287.172453,7.855514);(288.149857,16.8306)
LC-MS/MSLinear Ion TrappositiveNot AvailableView Spectrum(93.083256,2.594368);(109.091447,0.987962);(121.114663,19.174439);(137.119675,31.945922);(141.181246,0.552898);(147.141585,0.541518);(149.104979,62.913342);(150.114492,2.197727);(157.145033,1.001051);(161.167386,0.886719);(163.132502,2.095016);(169.172622,0.839453);(175.190117,2.547063);(177.114666,2.189942);(179.136199,5.15883);(185.176816,11.041329);(189.162079,3.154638);(191.136224,0.627171);(197.170735,7.156385);(199.176863,2.047655);(203.192673,5.56517);(205.155959,0.926484);(213.163859,90.222924);(214.1649,1.423444);(217.154216,1.63869);(223.135575,1.047621);(225.169003,1.992738);(230.208555,0.753527);(231.153517,63.366873);(232.171218,1.150367);(241.139121,100.0);(242.134099,1.901517);(243.216788,0.647308);(251.128833,2.947797);(258.155664,10.722475);(259.156541,20.358657);(268.416673,3.413532);(269.134499,49.589694);(270.124606,1.381776);(287.143981,6.059954)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(93.035187,0.162323);(95.04937,0.217976);(105.032585,0.170052);(109.028366,0.49006);(111.04528,0.154593);(115.052269,0.151501);(121.02845,2.459574);(122.035606,0.247349);(123.043785,0.488514);(127.038521,0.176236);(128.060455,0.27363);(129.069885,0.558081);(131.044357,0.097394);(133.028122,0.239619);(137.023666,12.483381);(138.025986,0.785332);(139.035355,0.097394);(139.053818,0.514795);(141.070755,0.259716);(143.050262,0.187057);(145.062134,0.160777);(147.042816,0.18242);(147.07872,0.171598);(148.048523,0.149955);(149.022751,3.365489);(150.029068,0.499335);(152.943207,0.244257);(157.064301,2.373002);(157.092926,0.112853);(158.068573,0.214884);(160.05188,0.159231);(161.057556,0.439044);(163.039215,0.977027);(163.075089,0.183966);(164.048218,0.106669);(165.016998,0.117491);(167.034317,0.214884);(168.053314,0.225706);(171.041412,0.330829);(175.072952,0.768327);(176.048279,0.106669);(176.078201,0.162323);(177.017151,0.261262);(178.026718,0.170052);(179.033127,0.361748);(184.046738,0.179328);(185.059006,6.10333);(186.063202,0.429768);(187.038239,0.128312);(189.014999,0.123674);(189.055008,0.559627);(191.032349,0.377207);(195.04808,0.275175);(197.056366,0.363293);(199.037628,0.367931);(200.039795,0.163869);(201.050385,0.177782);(202.056427,0.143771);(203.069061,0.754414);(205.01181,0.145317);(205.050629,0.270538);(212.046005,0.666296);(213.054642,10.928176);(214.057877,1.266116);(215.064835,0.196333);(216.037796,0.469963);(217.050262,0.465325);(223.03894,0.539529);(224.044678,0.217976);(225.048859,0.112853);(227.027618,0.137588);(229.048309,0.321553);(230.059433,0.483876);(231.064621,2.886251);(232.065979,0.320007);(241.048752,6.366138);(242.051529,0.910553);(243.053467,0.170052);(245.046631,0.146863);(247.238953,0.146863);(251.031601,0.231889);(253.057587,0.146863);(257.041901,0.142226);(258.051819,1.065145);(259.058594,0.392666);(260.060699,0.222614);(263.058685,0.103577);(269.042938,2.564697);(270.04892,0.568902);(285.037811,0.16696);(285.279419,0.576632);(286.140839,0.109761);(286.281525,0.245803);(286.935638,0.114399);(287.055634,100.0);(287.148773,0.109761);(287.610107,0.405034);(288.057587,11.827907);(289.061157,1.57994);(289.827576,0.111307);(290.027283,0.207155);(290.065979,0.256624);(361.02063,0.16696)
LC-MS/MSLC-ESI-QFTpositivelowView Spectrum(121.0283,0.8834683675);(137.0234,4.453973453);(149.0234,7.313394242);(179.0338,0.5861058438);(185.0595,1.674280297);(197.0596,0.6766074815);(203.0698,0.8619203586);(213.0543,15.21720393);(231.065,13.32959835);(241.0494,21.54800896);(258.0523,2.518962248);(259.06,5.96233408);(269.0445,14.22815032);(287.0552,10.74599207)
LC-MS/MSLC-ESI-ITpositivelowView Spectrum(120.9978,4.143934768);(137.0617,5.304000158);(149.064,9.875327438);(185.1951,2.005002659);(203.1951,2.085754239);(213.1397,16.71951628);(231.0213,10.54103559);(241.0595,19.69550745);(258.0836,2.528903157);(259.079,3.19658086);(269.1021,9.215527938);(287.114,14.68890946)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(55.01838972,0.126856661);(57.03403978,0.0620442257);(79.01838972,0.0426875319);(83.01330434,0.1183219631);(95.04968984,0.198263935);(97.0289544,0.0398599632);(109.0289544,3.934763299);(121.0289544,0.097013116);(137.023869,0.4224450417);(165.0187836,0.0522240911);(167.0344337,0.2196899119);(179.0344337,0.2691544103);(191.0344337,0.2578139845);(193.0136983,0.0392993111);(203.0344337,0.163083736);(205.0500838,0.0555606294);(229.0136983,0.0795453378);(229.0500838,0.0517356365);(231.0293483,0.0897968931);(231.0657338,0.1412784591);(233.0449984,0.1684041046);(241.0136983,0.0918309013);(243.0293483,0.2662867046);(245.0449984,0.3941038345);(255.0293483,0.2293097984);(257.0449984,1.248631026);(259.0242629,0.3532372176);(261.039913,0.1284950744);(269.0449984,11.42091842);(271.0242629,0.516624811);(287.0555631,78.72071997)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,0.393738301);(45.03403978,0.3571368641);(55.01838972,0.6009500083);(57.03403978,0.2949804263);(79.01838972,1.471834466);(95.04968984,0.8569836023);(109.0289544,9.429073569);(121.0289544,0.9120551282);(137.023869,1.652752069);(149.023869,0.297764424);(151.0395191,1.134862221);(179.0344337,0.3791429421);(203.0344337,0.9441839603);(205.0500838,0.5437906805);(215.0344337,0.327988692);(219.0293483,0.2618142818);(229.0136983,0.5308340994);(229.0500838,0.8220976707);(231.0293483,0.3543907558);(231.0657338,1.214573299);(233.0449984,0.8544669912);(239.0344337,0.6121129617);(243.0293483,0.982434721);(245.0449984,2.038384775);(255.0293483,0.8511571577);(257.0449984,11.43038917);(259.0242629,0.467131236);(261.039913,0.4695439531);(269.0449984,14.31730274);(271.0242629,1.134569786);(287.0555631,44.06155905)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(51.0234751,6.795896624);(53.03912516,2.883685433);(55.01838972,2.896098747);(65.03912516,3.551586759);(67.01838972,2.315055881);(69.03403978,1.889476777);(79.01838972,6.00222054);(81.03403978,1.069575585);(83.01330434,1.637320373);(91.01838972,1.821911233);(93.03403978,1.140155103);(95.01330434,2.172862291);(95.04968984,4.802749464);(109.0289544,9.145135654);(121.0289544,7.899044493);(133.0289544,0.8580899199);(137.023869,14.84302002);(179.0344337,0.9006111372);(187.0395191,1.420536888);(201.0551691,1.249088271);(213.0551691,3.981974542);(215.0344337,1.902772007);(225.0187836,0.9675268493);(229.0500838,0.9251564077);(231.0657338,2.935140173);(233.0449984,1.218367541);(239.0344337,1.480811468);(243.0293483,1.50358054);(245.0449984,1.667921786);(257.0449984,1.29673162);(269.0449984,6.825895872)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(17.00273965,0.0554920252);(41.00273965,0.1020863943);(53.00273965,0.0818000214);(55.01838972,0.0839574112);(93.03403978,0.0600447581);(107.0133043,0.079610843);(119.0133043,0.5341174298);(121.0289544,0.0372288419);(135.008219,2.344600524);(137.023869,0.2449387935);(147.008219,0.0688019988);(149.023869,1.481778635);(165.0187836,0.7037076524);(177.0187836,1.105497438);(201.0187836,0.0275067718);(203.0344337,0.0330754916);(213.0187836,0.0289377876);(217.0136983,0.0403157128);(227.0344337,0.2078773661);(229.0136983,0.1172587754);(229.0500838,2.914140051);(231.0293483,0.1007611333);(241.0136983,0.0948210954);(243.0293483,0.5632403291);(253.0136983,0.0223739895);(255.0293483,0.5206352805);(257.0086129,0.1007661429);(259.0242629,0.3949729517);(267.0293483,2.321395874);(269.0086129,0.1492678101);(285.039913,85.37899067)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(41.00273965,0.5641099976);(55.01838972,0.315974301);(83.01330434,0.1884597068);(93.03403978,1.088730046);(107.0133043,0.4533159155);(119.0133043,0.817106489);(121.0289544,0.2243598407);(135.008219,4.810992169);(147.008219,0.3113780181);(149.023869,3.102429259);(165.0187836,0.2155737243);(177.0187836,2.702733423);(185.023869,0.2968777436);(187.0395191,0.8827151957);(189.0187836,0.4181720902);(201.0187836,0.2914033678);(213.0187836,0.3440153143);(217.0136983,0.2245502443);(227.0344337,1.460594824);(229.0500838,14.36147403);(231.0293483,0.3881542955);(238.9980482,0.3644900047);(241.0136983,1.85978493);(243.0293483,3.80632462);(253.0136983,0.4389312265);(255.0293483,1.09901954);(257.0086129,0.6260569598);(259.0242629,0.7263905747);(267.0293483,4.730570284);(269.0086129,1.163587269);(285.039913,51.72172459)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,4.394729028);(49.00782503,1.11289661);(63.0234751,1.060234185);(65.00273965,2.421734509);(67.01838972,3.968322348);(77.00273965,1.559152655);(91.01838972,1.754669461);(92.99765427,1.75116895);(93.03403978,9.513667787);(107.0133043,3.243636507);(109.0289544,1.944473374);(119.0133043,13.00476025);(121.0289544,2.485009028);(131.0133043,1.509040547);(135.008219,10.02126094);(147.008219,1.647526972);(149.023869,8.094528426);(157.0289544,0.9848281003);(177.0187836,2.701567613);(185.023869,2.224748071);(187.0395191,1.924191347);(201.0187836,1.802731909);(203.0344337,1.120054952);(213.0187836,1.336417962);(226.9980482,1.046400898);(229.0500838,5.062549498);(231.0293483,1.042445489);(243.0293483,2.240182741);(255.0293483,3.331815786);(267.0293483,4.260785793);(285.039913,1.434468265)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Fisetin Fisetinhumanplasmaunchanged<1h>20µmol/LNot AvailableC15H10O6286.047738042 Publications
Fisetin Geraldonehumanplasmaunknown<1h>20µmol/LNot AvailableC16H12O5284.068473486 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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