precursor metabolite

Showing entry for 6-Prenylnaringenin

Identification

PhytoHub ID
PHUB000372
Name
6-Prenylnaringenin
Systematic Name
Not Available
Synonyms
  • 5,7,4'-Trihydroxy-6-prenylflavanone
CAS Number
68236-13-5
Average Mass
340.375
Monoisotopic Mass
340.131073744
Chemical Formula
C20H20O5
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
YHWNASRGLKJRJJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
SMILES
CC(C)=CCC1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.53e-02 g/l
LogS (ALOGPS)
-4.35
LogP (ALOGPS)
3.17
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
86.99000000000001
Refractivity
95.5326
Polarizability
36.49488002721719
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.950586506821382
pKa (strongest acidic)
7.674426236151494
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
Miscellaneous flavonoids

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Flavonoid metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
XanthohumolPolyphenolsMiscellaneous polyphenolsNot AvailableShow Food Phytochemical

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavans
Direct Parent Name
6-prenylated flavanones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "Chromones", "Flavanones", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Vinylogous acids"]
External Descriptor Annotations
Not Available
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "6-prenylated flavanone", "7-hydroxyflavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Ether", "Flavanone", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(41.03857442,4.084622774);(42.04639902,0.8859257074);(43.05422362,2.158733044);(55.05422362,2.762404826);(94.04131312,1.678709164);(105.0334885,1.857171538);(106.0413131,1.390815514);(107.0491377,1.396102083);(120.0569623,0.8840834393);(123.0440518,1.789861946);(176.0831748,0.9605319243);(202.0624397,0.9324448251);(204.0780889,1.574373334);(220.073003,0.8944274793);(283.0600925,1.430758277);(284.0679171,0.8242820244);(285.0757417,2.413636592);(297.0757417,1.631797426);(298.1199506,1.115456391);(299.0913909,1.765001735);(308.1043014,0.8760368681);(309.112126,1.051493742);(310.1199506,1.102167439);(311.1277752,1.315810198);(312.1355998,1.734117994);(322.1199506,1.541118723);(323.1277752,1.175448638);(324.0992155,1.024054264);(325.1070401,2.9382387);(339.1226893,1.037418979);(340.1305139,1.69861153)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(41.03857442,2.126559055);(43.05422362,1.123891619);(55.05422362,1.449495722);(73.04679982,3.25273888);(163.0573631,3.593281108);(165.0730123,0.6681770853);(178.0808369,1.078405456);(179.0886615,0.8748513029);(181.1043107,4.157938238);(182.1065544,0.6881335248);(192.0964861,0.7446530599);(195.1199599,0.8284249298);(348.1571365,0.6913166505);(364.1520506,0.5926995606);(454.1989982,0.6296311784);(455.2068228,0.8780025675);(482.1939123,0.5884749007);(483.2017369,2.382685799);(484.2041746,0.9517297843);(484.2095615,2.492954846);(485.2120006,0.9961491783);(485.2173861,1.148070891);(499.1786639,0.6200443718);(501.1943131,1.066838054);(513.1943131,0.8228693949);(515.2099623,0.5868837553);(540.2177869,0.9511372737);(541.2256115,12.02132366);(542.2277929,5.690389224);(543.2265557,2.61430766);(544.2273464,0.7527870983)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(41.03857442,4.084622774);(42.04639902,0.8859257074);(43.05422362,2.158733044);(55.05422362,2.762404826);(94.04131312,1.678709164);(105.0334885,1.857171538);(106.0413131,1.390815514);(107.0491377,1.396102083);(120.0569623,0.8840834393);(123.0440518,1.789861946);(176.0831748,0.9605319243);(202.0624397,0.9324448251);(204.0780889,1.574373334);(220.073003,0.8944274793);(283.0600925,1.430758277);(284.0679171,0.8242820244);(285.0757417,2.413636592);(297.0757417,1.631797426);(298.1199506,1.115456391);(299.0913909,1.765001735);(308.1043014,0.8760368681);(309.112126,1.051493742);(310.1199506,1.102167439);(311.1277752,1.315810198);(312.1355998,1.734117994);(322.1199506,1.541118723);(323.1277752,1.175448638);(324.0992155,1.024054264);(325.1070401,2.9382387);(339.1226893,1.037418979);(340.1305139,1.69861153)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(119.0515,999.0);(120.0553,95.0);(131.0878,40.0);(133.0669,155.0);(134.0713,21.0);(137.025,24.0);(151.0787,90.0);(175.0781,95.0);(176.0139,67.0);(191.0741,29.0);(219.0689,583.0);(220.0725,71.0);(233.0849,69.0);(245.0865,42.0);(339.1281,77.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(218.9821,2.0);(219.0661,9.0);(245.0813,3.0);(313.0719,6.0);(339.1242,999.0);(340.1276,233.0);(341.1295,34.0);(342.1323,4.0);(342.9798,1.0);(361.1043,2.0);(407.1106,7.0);(451.1378,2.0);(469.0824,2.0);(679.2549,3.0);(701.2372,4.0);(702.2402,2.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(109.0668,68.0);(117.0353,26.0);(119.0518,999.0);(120.0547,76.0);(131.0868,37.0);(133.0675,187.0);(134.0698,21.0);(136.0183,33.0);(137.0242,29.0);(145.0311,24.0);(147.0816,21.0);(151.0787,83.0);(175.0758,39.0);(176.0154,56.0);(187.047,24.0);(219.068,84.0);(233.0824,22.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(109.0668,68.0);(117.0353,26.0);(119.0518,999.0);(120.0547,76.0);(131.0868,37.0);(133.0675,187.0);(134.0698,21.0);(136.0183,33.0);(137.0242,29.0);(145.0311,24.0);(147.0816,21.0);(151.0787,83.0);(175.0758,39.0);(176.0154,56.0);(187.047,24.0);(219.068,84.0);(233.0824,22.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(109.0668,68.0);(117.0353,26.0);(119.0518,999.0);(120.0547,76.0);(131.0868,37.0);(133.0675,187.0);(134.0698,21.0);(136.0183,33.0);(137.0242,29.0);(145.0311,24.0);(147.0816,21.0);(151.0787,83.0);(175.0758,39.0);(176.0154,56.0);(187.047,24.0);(219.068,84.0);(233.0824,22.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(119.0515,999.0);(120.0553,95.0);(131.0878,40.0);(133.0669,155.0);(134.0713,21.0);(137.025,24.0);(151.0787,90.0);(175.0781,95.0);(176.0139,67.0);(191.0741,29.0);(219.0689,583.0);(220.0725,71.0);(233.0849,69.0);(245.0865,42.0);(339.1281,77.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(218.9821,2.0);(219.0661,9.0);(245.0813,3.0);(313.0719,6.0);(339.1242,999.0);(340.1276,233.0);(341.1295,34.0);(342.1323,4.0);(342.9798,1.0);(361.1043,2.0);(407.1106,7.0);(451.1378,2.0);(469.0824,2.0);(679.2549,3.0);(701.2372,4.0);(702.2402,2.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(109.0668,68.0);(117.0353,26.0);(119.0518,999.0);(120.0547,76.0);(131.0868,37.0);(133.0675,187.0);(134.0698,21.0);(136.0183,33.0);(137.0242,29.0);(145.0311,24.0);(147.0816,21.0);(151.0787,83.0);(175.0758,39.0);(176.0154,56.0);(187.047,24.0);(219.068,84.0);(233.0824,22.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(339.1282,999.0);(340.1311,129.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(119.0516,74.0);(219.0691,240.0);(220.072,30.0);(233.0856,26.0);(245.0849,36.0);(339.1281,999.0);(340.1312,128.0)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(95.057037,0.031909);(95.472763,0.092182);(95.827034,0.138273);(95.967369,0.134728);(96.014168,0.159546);(96.098045,0.124091);(96.242485,0.141819);(96.318649,0.209183);(96.42807,0.067364);(96.658829,0.230456);(97.029022,0.152455);(97.154533,0.145364);(97.352776,0.14891);(97.477272,0.113455);(97.616104,0.117001);(98.374664,0.10991);(98.40033,0.092182);(98.625526,0.106364);(98.698677,0.138273);(99.007332,0.975004);(99.031151,0.131182);(99.066803,0.127637);(99.11039,0.088637);(99.189667,0.10991);(99.31459,0.088637);(99.35228,0.124091);(99.53289,0.141819);(99.80909,0.156001);(99.984146,0.205637);(100.011696,0.219819);(100.304825,0.046091);(100.735847,0.212728);(100.787796,0.131182);(100.819771,0.127637);(100.891724,0.131182);(100.913719,0.124091);(101.011711,0.237547);(101.079735,0.163092);(101.293961,0.095728);(101.538498,0.049637);(101.833527,0.173728);(101.901833,0.141819);(101.970154,0.195001);(101.998291,0.177274);(102.225563,0.134728);(102.314125,0.035455);(102.822083,0.10991);(103.268593,0.156001);(103.47905,0.113455);(103.515503,0.198546);(103.581032,0.049637);(103.643112,0.195001);(103.754585,0.10991);(103.837723,0.120546);(103.980705,0.134728);(103.999153,0.145364);(104.040642,0.184364);(104.278305,0.10991);(104.508095,0.085091);(104.683151,0.113455);(104.727959,0.113455);(104.760551,0.173728);(105.03167,0.159546);(105.086746,0.166637);(105.164299,0.170183);(105.227577,0.088637);(105.278625,0.14891);(105.542236,0.163092);(105.619949,0.127637);(105.656769,0.113455);(106.013046,0.046091);(106.427406,0.145364);(106.99894,0.166637);(107.048622,0.762276);(107.56797,0.102819);(107.702194,0.145364);(107.724915,0.191455);(107.879906,0.067364);(108.049484,0.152455);(108.130188,0.177274);(108.188148,0.195001);(108.2192,0.113455);(108.293755,0.099273);(108.768578,0.205637);(109.028412,0.780004);(109.05938,0.124091);(109.658821,0.113455);(109.698425,0.085091);(109.948715,0.056728);(110.032211,0.163092);(110.213921,0.124091);(110.358147,0.152455);(110.460625,0.166637);(110.690842,0.113455);(110.739014,0.184364);(110.845856,0.124091);(110.900345,0.18791);(110.930779,0.177274);(110.989685,0.138273);(111.00679,0.18791);(111.034531,0.138273);(111.208672,0.120546);(111.326241,0.131182);(111.460686,0.106364);(111.670914,0.131182);(111.795036,0.216274);(112.237404,0.134728);(112.425148,0.177274);(112.653183,0.095728);(112.801109,0.156001);(112.82225,0.099273);(113.157501,0.152455);(113.374695,0.156001);(113.796822,0.106364);(114.349815,0.127637);(114.451706,0.10991);(114.473,0.152455);(114.496422,0.134728);(114.57737,0.159546);(114.607193,0.127637);(114.647682,0.14891);(114.737206,0.138273);(114.762794,0.106364);(114.811836,0.22691);(115.065765,0.14891);(115.144768,0.095728);(115.212044,0.127637);(115.578873,0.159546);(116.026375,0.124091);(116.148605,0.202092);(116.303101,0.156001);(116.711281,0.042546);(116.997437,0.056728);(117.572952,0.195001);(117.732704,0.042546);(117.814789,0.053182);(118.041733,0.081546);(118.131363,0.120546);(118.245087,0.088637);(118.49411,0.067364);(118.674103,0.159546);(118.758583,0.127637);(118.778107,0.152455);(119.014664,0.163092);(119.042892,0.173728);(119.073296,0.113455);(119.205811,0.138273);(119.78019,0.145364);(120.022102,0.141819);(120.189758,0.127637);(120.445496,0.102819);(120.541626,0.10991);(120.600632,0.145364);(120.626862,0.152455);(121.030327,0.26591);(121.065781,0.560184);(121.489677,0.070909);(121.553307,0.18791);(121.667442,0.173728);(121.924438,0.095728);(121.985977,0.173728);(122.067329,0.184364);(122.210304,0.10991);(122.443642,0.134728);(122.467873,0.113455);(122.936317,0.14891);(122.979111,0.156001);(123.007111,4.740294);(123.193604,0.031909);(123.651314,0.134728);(124.010582,0.315547);(124.041145,0.124091);(124.129829,0.102819);(124.368782,0.241092);(124.858971,0.138273);(125.007286,0.138273);(125.025085,0.134728);(125.06633,0.166637);(125.125252,0.042546);(125.265556,0.191455);(125.428223,0.060273);(126.109009,0.141819);(126.281166,0.099273);(126.341568,0.102819);(126.377365,0.152455);(126.431068,0.18791);(126.527321,0.102819);(126.731133,0.056728);(126.79245,0.117001);(126.814049,0.163092);(126.984444,0.159546);(127.033791,0.191455);(127.103348,0.10991);(127.604225,0.195001);(128.034012,0.134728);(128.205231,0.14891);(128.518433,0.170183);(129.106003,0.173728);(129.286987,0.230456);(129.372986,0.379365);(129.511124,0.078);(129.816177,0.131182);(130.009918,0.138273);(130.157471,0.138273);(130.521027,0.088637);(130.612,0.113455);(130.730316,0.127637);(131.110626,0.195001);(131.133423,0.152455);(131.5177,0.195001);(131.587372,0.191455);(131.681,0.180819);(132.037537,0.159546);(132.557205,0.120546);(132.664917,0.138273);(132.894272,0.14891);(133.069229,0.170183);(133.128403,0.042546);(133.174332,0.173728);(133.302994,0.156001);(133.5858,0.156001);(133.652512,0.095728);(133.829742,0.159546);(134.17305,0.141819);(134.288193,0.216274);(134.468307,0.184364);(134.717682,0.120546);(135.045731,0.209183);(135.147705,0.173728);(135.325928,0.131182);(135.413925,0.191455)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LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(339.1282,100.0);(340.1311,12.91)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(109.0668,6.81);(117.0353,2.6);(119.0518,100.0);(120.0547,7.61);(131.0868,3.7);(133.0675,18.72);(134.0698,2.1);(136.0183,3.3);(137.0242,2.9);(145.0311,2.4);(147.0816,2.1);(151.0787,8.31);(175.0758,3.9);(176.0154,5.61);(187.047,2.4);(219.068,8.41);(233.0824,2.2)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(119.0516,7.41);(219.0691,24.02);(220.072,3.0);(233.0856,2.6);(245.0849,3.6);(339.1281,100.0);(340.1312,12.81)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(119.0515,100.0);(120.0553,9.51);(131.0878,4.0);(133.0669,15.52);(134.0713,2.1);(137.025,2.4);(151.0787,9.01);(175.0781,9.51);(176.0139,6.71);(191.0741,2.9);(219.0689,58.36);(220.0725,7.11);(233.0849,6.91);(245.0865,4.2);(339.1281,7.71)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(119.0515,1.0);(120.0553,0.0950951);(131.0878,0.04004004);(133.0669,0.15515516);(134.0713,0.02102102);(137.025,0.02402402);(151.0787,0.09009009);(175.0781,0.0950951);(176.0139,0.06706707);(191.0741,0.02902903);(219.0689,0.58358358);(220.0725,0.07107107);(233.0849,0.06906907);(245.0865,0.04204204);(339.1281,0.07707708)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(119.0516,0.07407407);(219.0691,0.24024024);(220.072,0.03003003);(233.0856,0.02602603);(245.0849,0.03603604);(339.1281,1.0);(340.1312,0.12812813)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(109.0668,0.06806807);(117.0353,0.02602603);(119.0518,1.0);(120.0547,0.07607608);(131.0868,0.03703704);(133.0675,0.18718719);(134.0698,0.02102102);(136.0183,0.03303303);(137.0242,0.02902903);(145.0311,0.02402402);(147.0816,0.02102102);(151.0787,0.08308308);(175.0758,0.03903904);(176.0154,0.05605606);(187.047,0.02402402);(219.068,0.08408408);(233.0824,0.02202202)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(119.052,1.0);(120.055,0.095);(131.088,0.04);(133.067,0.155);(134.071,0.021);(137.025,0.024);(151.079,0.09);(175.078,0.095);(176.014,0.067);(191.074,0.029);(219.069,0.584);(220.072,0.071);(233.085,0.069);(245.086,0.042);(339.128,0.077)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(109.067,0.068);(117.035,0.026);(119.052,1.0);(120.055,0.076);(131.087,0.037);(133.068,0.187);(134.07,0.021);(136.018,0.033);(137.024,0.029);(145.031,0.024);(147.082,0.021);(151.079,0.083);(175.076,0.039);(176.015,0.056);(187.047,0.024);(219.068,0.084);(233.082,0.022)
LC-MS/MSLC-ESI-UNKNOWNNegativemediumView Spectrum(119.052,0.074);(219.069,0.24);(220.072,0.03);(233.086,0.026);(245.085,0.036);(339.128,1.0);(340.131,0.128)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(57.07042529,0.8613839995);(69.07042529,2.368581528);(95.04968984,1.190918128);(119.0496898,2.438538646);(121.0653399,3.033335816);(123.08099,0.9074837093);(125.09664,0.5550937922);(137.0602545,1.707958984);(173.0602545,0.7314920175);(175.0759046,0.5796823939);(179.0344337,0.4885154632);(193.0864693,2.819096442);(203.0708192,0.8367934725);(205.0864693,1.114129463);(215.0708192,0.80277113);(217.0864693,0.669480827);(219.0657338,1.373430527);(219.1021193,0.8374444593);(221.0813839,6.504870229);(235.097034,0.7395821371);(271.0606485,1.257857803);(273.0762985,0.6009848749);(279.0657338,0.4851731061);(283.0606485,0.7155414219);(285.0762985,3.195928629);(297.0762985,4.05837396);(299.0919486,4.04931137);(301.1075986,1.032731995);(323.1283341,10.20498395);(325.1075986,0.5321185373);(341.1388988,43.30641119)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(57.07042529,1.314801859);(67.05477522,1.243656908);(69.07042529,9.882831501);(95.04968984,1.48970013);(107.0496898,8.4606433);(109.0653399,1.496669024);(119.0496898,1.669453165);(121.0289544,1.872498225);(121.0653399,3.096580146);(123.0446045,3.592286815);(147.0446045,1.908857566);(149.023869,1.332540682);(163.0395191,1.435649033);(165.0187836,1.372091585);(165.0551691,1.547989668);(175.0759046,1.155469994);(201.0551691,2.798884222);(203.0708192,6.282870557);(205.0864693,5.13551914);(219.0657338,2.484908483);(221.0813839,5.876877403);(267.0657338,2.316793462);(283.0606485,2.159244523);(285.0762985,7.597498295);(297.0762985,1.758909267);(297.112684,1.300421528);(299.1283341,1.270035541);(301.1075986,1.780736688);(311.1283341,1.690710027);(323.1283341,5.658823187);(341.1388988,9.016048078)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(41.03912516,1.738255542);(53.03912516,2.253739159);(67.05477522,5.571188046);(69.07042529,5.101946098);(77.03912516,2.227213522);(79.01838972,1.776393824);(95.04968984,1.797200258);(107.0496898,6.272451179);(109.0653399,2.44681652);(119.0496898,4.593113605);(121.0289544,8.745801411);(121.0653399,3.605194095);(123.0446045,2.826545132);(133.0653399,1.983136141);(137.0602545,1.648681252);(145.0289544,1.738236927);(147.0446045,1.948368113);(149.0602545,4.150359711);(163.0395191,3.71090298);(165.0187836,4.806650389);(173.0602545,4.197739481);(175.0759046,4.04665174);(197.0602545,1.889302296);(199.0759046,1.678271288);(201.0551691,1.86614503);(203.0708192,3.158764409);(205.0864693,2.80495364);(215.0708192,2.642171993);(217.0864693,2.4468554);(323.1283341,4.787074839);(325.1075986,1.53987598)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(69.07042529,0.2192618434);(81.07042529,0.1796990019);(93.03403978,2.905411448);(119.0496898,0.8444452655);(121.0289544,0.4650124122);(135.0446045,0.6327134757);(137.0602545,0.2273121117);(147.0446045,0.7821671523);(163.0395191,0.8490019134);(175.0759046,1.747230987);(189.0551691,0.4472975508);(191.0708192,4.535444042);(193.0864693,1.046449296);(195.1021193,0.2978416157);(201.0551691,0.2249263419);(217.0500838,0.1838580338);(217.0864693,0.1624347716);(219.0657338,1.743290998);(245.0813839,0.5295064308);(271.0606485,1.2379966);(295.0606485,0.2131564737);(297.0762985,0.3019150856);(297.112684,0.1883896985);(299.0919486,0.3986658169);(307.097034,0.1398355931);(309.112684,0.2076834886);(313.1075986,0.1417786026);(321.112684,3.911025044);(321.112684,1.086039817);(323.0919486,0.2772624882);(339.1232487,73.8729466)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(17.00273965,1.512730162);(69.07042529,1.632711751);(93.03403978,4.231035671);(107.0133043,0.5950785334);(119.0496898,1.390885131);(121.0289544,1.510444653);(145.0289544,0.9729680244);(147.0446045,1.747374917);(163.0395191,1.363621577);(173.0602545,0.8903278654);(175.0759046,4.871642749);(189.0551691,2.369025129);(191.0708192,8.757112572);(193.0864693,2.984559702);(201.0551691,1.283736387);(203.0708192,1.630256227);(217.0864693,1.386018963);(219.0657338,6.383292273);(245.0813839,1.520501984);(253.0500838,0.8313504116);(269.0449984,0.7703046313);(271.0606485,5.405581774);(295.097034,1.138154848);(297.0762985,1.263947326);(297.112684,1.834539789);(299.0919486,1.320248825);(307.097034,0.5496063006);(321.112684,3.599958772);(321.112684,1.338179858);(323.0919486,1.081750292);(339.1232487,33.8330529)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,1.823358972);(55.05477522,2.340865632);(65.00273965,1.724142938);(81.07042529,1.588205368);(93.03403978,13.31614832);(105.0340398,3.414145743);(107.0133043,8.580489816);(107.0496898,1.999533305);(117.0340398,3.017079105);(119.0496898,4.852683064);(121.0289544,4.770666736);(121.0653399,1.49804609);(123.08099,2.12680943);(131.0496898,1.516582431);(133.0653399,2.482626111);(147.0446045,1.486053207);(149.023869,3.308488266);(149.0602545,1.457295483);(151.0759046,2.239966125);(159.0446045,2.192569);(173.0602545,3.789771505);(175.0759046,12.08819521);(177.0915547,3.086491536);(189.0551691,1.492030566);(191.0708192,1.751006613);(201.0551691,2.212729442);(203.0708192,2.399378587);(217.0864693,1.758695434);(229.0500838,1.771768015);(233.0813839,1.87931402);(323.0919486,2.034863933)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(339.12379,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(175.07644,18.0);(219.06627,84.0);(339.12379,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(119.05023,100.0);(159.04514,20.0);(175.07644,41.0);(219.06627,16.0)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(341.13835,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(147.04405,52.0);(221.08083,100.0);(341.13835,75.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(121.06479,27.0);(147.04405,12.0);(221.08083,100.0)

Food Sources

NameGroup
BeerBeverages, Alcoholic PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
XanthohumolBeerBeverages, Alcoholic PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Xanthohumol 6-Prenylnaringeninhumanplasmagut microbiota metaboliteNot AvailableNot AvailableNot AvailableC20H20O5340.131073744 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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