Diosmin
precursor
Showing entry for Diosmin
Identification
- PhytoHub ID
- PHUB000881
- Name
- Diosmin
- Systematic Name
- Not Available
- Synonyms
- Diosmetin 7-O-rutinoside
- CAS Number
- Not Available
- Average Mass
- 608.549
- Monoisotopic Mass
- 608.17412033
- Chemical Formula
- C28H32O15
- IUPAC Name
- 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- GZSOSUNBTXMUFQ-YFAPSIMESA-N
- InChI Identifier
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
- SMILES
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
- Structure
Structure for Diosmin
Calculated Properties
- Solubility (ALOGPS)
- 1.54e+00 g/l
- LogS (ALOGPS)
- -2.60
- LogP (ALOGPS)
- 0.08
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 7
- Polar Surface Area
- 234.28999999999996
- Refractivity
- 142.39109999999997
- Polarizability
- 58.9324761551109
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.612182351683661
- pKa (strongest acidic)
- 7.311649827960178
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- PubChem
- 5281613
- ChEBI
- 4631
- Chemistry Dashboard
- DTXSID4045892
- Phenol-Explorer
- 232
- PeakForestCompound
- 000677
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
- Flavonoid glycosides
- Direct Parent Name
- Flavonoid-7-O-glycosides
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "4'-O-methylated flavonoids", "5-hydroxyflavonoids", "Acetals", "Alkyl aryl ethers", "Anisoles", "Chromones", "Disaccharides", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Phenoxy compounds", "Polyols", "Pyranones and derivatives", "Secondary alcohols", "Vinylogous acids"]
- External Descriptor Annotations
- ["dihydroxyflavanone", "disaccharide derivative", "flavones", "glycosyloxyflavone", "monomethoxyflavone", "rutinoside"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4p-methoxyflavonoid-skeleton", "5-hydroxyflavonoid", "Acetal", "Alcohol", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Disaccharide", "Ether", "Flavone", "Flavonoid-7-o-glycoside", "Glycosyl compound", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "O-glycosyl compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenol ether", "Phenolic glycoside", "Phenoxy compound", "Polyol", "Pyran", "Pyranone", "Secondary alcohol", "Vinylogous acid"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (127.0249,279.0);(127.0329,162.0);(138.0573,257.0);(139.0628,188.0);(165.0453,193.0);(166.0544,319.0);(167.0694,173.0);(178.0519,208.0);(182.0484,853.0);(183.0499,168.0);(194.0498,246.0);(195.0544,250.0);(211.0562,162.0);(222.0435,372.0);(223.0491,188.0);(237.0302,297.0);(239.041,206.0);(265.0349,264.0);(266.0378,999.0);(383.1255,182.0);(519.2007,235.0);(532.0093,204.0);(981.6494,332.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (607.1672,999.0);(608.1708,254.0);(609.1722,56.0);(610.1752,11.0);(675.1541,63.0);(676.1565,18.0);(706.0838,17.0);(743.142,10.0);(1215.3386,43.0);(1216.345,23.0);(1217.3436,10.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (607.1672,999.0);(608.1708,254.0);(609.1722,56.0);(610.1752,11.0);(675.1541,63.0);(676.1565,18.0);(706.0838,17.0);(743.142,10.0);(1215.3386,43.0);(1216.345,23.0);(1217.3436,10.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (299.0566,999.0);(300.0601,107.0);(301.0625,39.0);(607.1664,661.0);(608.1717,174.0);(609.1782,48.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (607.1672,999.0);(608.1708,254.0);(609.1722,56.0);(610.1752,11.0);(675.1541,63.0);(676.1565,18.0);(706.0838,17.0);(743.142,10.0);(1215.3386,43.0);(1216.345,23.0);(1217.3436,10.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (284.0336,214.0);(285.0358,47.0);(299.0563,999.0);(300.0601,137.0);(301.0625,32.0) | |
| LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | 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| |
| LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (150.321381,3.281853);(265.031799,11.711712);(284.037476,29.79408);(299.057983,100.0) | |
| LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (72.871918,3.169499);(163.03978,7.11989);(171.774551,20.808452);(201.017334,100.0);(349.090973,86.495177);(352.450623,3.307304) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | 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| |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (69.970978,0.049247);(71.049797,0.024624);(71.506607,0.037338);(71.997475,0.014645);(75.617592,0.033475);(76.144905,0.050052);(77.036285,0.02575);(77.758438,0.064376);(80.817032,0.020278);(83.413605,0.045063);(85.020264,0.015289);(85.066109,0.14565);(86.071671,0.059869);(91.05381,0.272791);(92.250313,0.032188);(96.854263,0.031383);(97.40712,0.031061);(97.970993,0.031222);(98.194107,0.046511);(100.076309,0.025589);(101.31633,0.023336);(102.70295,0.021405);(103.053284,0.037016);(104.028389,0.0206);(105.045509,0.052788);(105.178345,0.046833);(108.281792,0.017703);(109.169228,0.019152);(110.480774,0.02913);(114.725845,0.037177);(115.35321,0.036855);(115.507385,0.023014);(116.525055,0.01883);(119.033798,0.044902);(119.049294,0.112496);(120.729607,0.02398);(121.028297,0.022049);(124.040726,0.030417);(124.147324,0.043614);(128.298584,0.0309);(130.230194,0.027038);(130.576492,0.036211);(131.025787,0.034763);(131.048935,1.052862);(131.080826,0.059225);(132.051987,0.04281);(132.290741,0.039269);(136.240891,0.035407);(136.980103,0.019152);(137.71701,0.035889);(139.013611,0.047316);(139.337051,0.028164);(141.864105,0.031383);(142.122665,0.039108);(143.091827,0.058582);(145.102722,0.021083);(145.978363,0.027199);(147.044052,4.009792);(147.118698,0.0206);(147.291931,0.035567);(148.046417,0.495531);(148.639847,0.033797);(149.131927,0.02221);(149.160812,0.01883);(149.210663,0.05826);(149.941223,0.029613);(157.027252,0.021405);(159.014206,0.146937);(159.044327,2.44965);(160.046738,0.117807);(161.268204,0.026555);(164.098999,0.017864);(165.078354,0.023014);(165.830093,0.036372);(166.054001,0.040878);(167.360184,0.047316);(168.020737,0.016738);(168.24202,0.022049);(168.575302,0.021244);(169.564545,0.080148);(173.02359,0.025267);(173.135223,0.036694);(173.309662,0.049569);(173.502792,0.040718);(174.996017,0.029452);(175.038742,1.072336);(176.041931,0.187816);(177.031631,0.018347);(179.804977,0.028808);(180.363235,0.040557);(180.424133,0.034441);(180.83371,0.055846);(186.314758,0.074676);(187.041183,0.030578);(189.091888,0.018991);(189.273483,0.042649);(199.929337,0.030417);(200.973129,0.031866);(201.021118,0.137281);(201.718887,0.018025);(202.025146,0.456101);(202.111115,0.023497);(202.183685,0.014163);(202.260406,0.014324);(202.512054,0.013358);(202.575821,0.054397);(202.599106,0.050857);(202.631638,0.018669);(202.664963,0.038464);(202.741425,0.055363);(202.774017,0.027199);(202.818375,0.01722);(202.844604,0.032992);(202.884186,0.030257);(202.905823,0.06518);(202.962311,0.218394);(203.034546,79.572031);(203.204193,0.042005);(203.241806,0.030417);(203.273148,0.031061);(203.356918,0.034924);(203.465042,0.042005);(203.984329,0.122957);(204.037796,8.108421);(204.386673,0.019313);(204.447495,0.024624);(204.490097,0.015289);(204.560013,0.01706);(204.981522,0.055041);(205.011017,0.043453);(205.038589,0.572781);(205.223785,0.017542);(205.321274,0.060191);(205.48378,0.056811);(205.572525,0.041039);(205.629471,0.074354);(205.666595,0.047155);(205.718109,0.032188);(205.797836,0.023819);(205.888947,0.035728);(206.094833,0.019313);(206.642426,0.024463);(207.067886,0.099299);(208.601364,0.043293);(208.665512,0.019152);(210.21521,0.019956);(210.472473,0.036694);(211.247726,0.021566);(212.395874,0.018186);(212.770126,0.024302);(212.830383,0.020439);(212.961563,0.016577);(213.312607,0.017703);(214.449005,0.018347);(215.573975,0.029452);(215.859695,0.021888);(217.058533,0.065502);(217.122314,0.019474);(217.175949,0.0309);(217.921509,0.016094);(221.050308,0.02398);(227.870285,0.031544);(234.078354,0.024141);(239.349106,0.020922);(239.99472,0.016416);(241.087891,0.028647);(242.864349,0.032188);(247.054993,0.022531);(252.881195,0.060352);(253.528366,0.043614);(255.545227,0.032992);(257.036835,0.043453);(258.35611,0.026072);(260.13327,0.016577);(262.136719,0.04281);(264.909119,0.043293);(265.382263,0.037016);(265.538025,0.032671);(267.01474,0.049086);(269.305817,0.030257);(271.096252,0.028003);(272.990753,0.021888);(274.127716,0.051018);(283.750916,0.044741);(284.008881,0.02575);(285.954895,0.022531);(286.046692,0.240443);(287.050201,0.028808);(287.089935,0.067112);(288.879578,0.031705);(292.126678,0.021244);(292.406097,0.023497);(292.711456,0.027842);(297.490295,0.050213);(298.475311,0.03428);(301.07251,1.210743);(301.615509,0.026394);(301.706177,0.024302);(302.074066,0.150317);(302.202484,0.031544);(302.509247,0.014967);(302.613159,0.017381);(302.657379,0.028164);(302.705261,0.01368);(302.886414,0.014163);(302.938904,0.027199);(303.18335,0.027038);(303.36438,0.023014);(303.548126,0.040235);(303.588867,0.043775);(303.776306,0.014645);(303.928192,0.014967);(304.011749,0.062444);(304.073212,0.018347);(304.116089,0.080952);(304.252991,0.044741);(304.353607,0.021566);(304.433105,0.015289);(304.520172,0.031383);(304.609467,0.032832);(304.660034,0.062766);(304.690094,0.09093);(304.742401,0.056007);(304.848114,0.072101);(304.904327,0.047316);(304.954041,0.07371);(305.103638,100.0);(305.196289,0.113623);(305.230164,0.092218);(305.272095,0.039913);(305.301025,0.052949);(305.338806,0.05665);(305.3703,0.021566);(305.400299,0.07548);(305.425629,0.06856);(305.478516,0.047316);(305.53833,0.021405);(305.561371,0.032832);(305.651825,0.051983);(305.721008,0.0206);(305.762878,0.088516);(305.886932,0.018669);(305.98941,0.069365);(306.045105,0.135832);(306.106995,11.613991);(306.173523,0.028969);(306.33139,0.035085);(306.463165,0.025106);(306.565491,0.017703);(306.661896,0.01706);(306.856445,0.016416);(306.945709,0.032188);(307.020447,0.028969);(307.109772,0.646974);(307.21405,0.014645);(307.459076,0.037499);(307.645752,0.020761);(307.920929,0.046189);(307.999542,0.023014);(308.106903,0.021566);(308.156189,0.025267);(308.22998,0.022049);(308.278076,0.06003);(308.371399,0.040718);(308.408051,0.019635);(308.454346,0.029452);(308.504639,0.026555);(308.562927,0.024463);(308.93866,0.013519);(309.288544,0.034119);(311.98465,0.016738);(317.151337,0.029613);(317.544006,0.018025);(322.129852,0.016738);(322.181427,0.015933);(322.751892,0.015611);(322.972839,0.016738);(331.198334,0.029613);(331.237549,0.021244);(371.201843,0.026877);(379.119537,0.035889);(417.617676,0.029613);(460.143311,0.027842);(463.120178,0.11314);(464.138397,0.135511);(540.23877,0.025106);(609.176697,0.036694);(609.274109,0.061318);(682.214783,0.03251);(749.260498,0.017542);(1016.274597,0.014645);(1116.64209,0.02575);(1840.966797,0.048443);(1918.149536,0.025428) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (71.048683,0.019208);(76.175858,0.03772);(79.146194,0.034379);(79.697914,0.028255);(81.919022,0.020043);(84.785042,0.057902);(85.065094,0.193749);(86.139946,0.030065);(88.185951,0.037024);(88.406235,0.025889);(90.023109,0.038416);(90.67186,0.053448);(92.058548,0.037024);(94.053391,0.050804);(98.622673,0.044818);(102.593246,0.037581);(105.876572,0.021574);(108.431328,0.021296);(110.697479,0.050943);(112.099411,0.038555);(113.494522,0.028255);(116.709831,0.016424);(116.897881,0.022827);(119.050247,0.134177);(119.951996,0.034379);(124.076797,0.024219);(126.513359,0.044123);(127.100662,0.024636);(127.544876,0.037442);(131.049637,0.27587);(132.048126,0.019069);(134.065964,0.035632);(135.098495,0.031735);(135.760406,0.021852);(137.508301,0.016981);(139.469131,0.018512);(143.106995,0.025332);(144.792572,0.035632);(146.098129,0.025471);(146.420959,0.017677);(146.726944,0.023384);(147.044495,1.264521);(148.050049,0.045236);(149.053452,0.035215);(149.312531,0.013362);(149.79657,0.040643);(149.90007,0.033683);(151.042786,0.063748);(151.106445,0.021852);(151.444763,0.049412);(151.643448,0.026446);(154.178162,0.056649);(157.798141,0.030204);(158.960022,0.024915);(159.044708,1.157346);(159.529312,0.032709);(160.048096,0.052752);(160.5784,0.019069);(161.066574,0.02227);(161.355881,0.01712);(165.434052,0.016703);(167.73941,0.039251);(173.029785,0.02909);(173.649918,0.03591);(173.749451,0.038416);(175.039932,0.55522);(176.042374,0.024079);(177.072144,0.018651);(179.073196,0.022548);(180.097961,0.032431);(180.37085,0.015867);(183.081802,0.01893);(183.228806,0.028812);(185.098175,0.021435);(185.780975,0.022548);(186.221893,0.031874);(187.044266,0.035075);(187.110855,0.019208);(188.401855,0.030621);(188.452347,0.016007);(188.582596,0.028394);(188.998535,0.049968);(189.294571,0.019625);(189.572266,0.019904);(189.87027,0.042174);(190.795944,0.032848);(191.076324,0.016146);(191.137283,0.042313);(193.16095,0.039669);(193.611374,0.0309);(194.035431,0.069316);(196.240189,0.017955);(196.341995,0.054005);(197.023834,0.024636);(199.146637,0.020739);(199.90535,0.023384);(200.979462,0.02227);(201.019394,0.069176);(201.340622,0.018651);(202.02179,0.211009);(202.051682,0.03605);(202.214493,0.012249);(202.281219,0.012805);(202.308289,0.024219);(202.558167,0.030482);(202.619217,0.047324);(202.688889,0.022827);(202.857239,0.018373);(202.924454,0.056093);(202.957214,0.086157);(203.034424,57.349809);(203.103821,0.047045);(203.142532,0.040225);(203.174881,0.023801);(203.229126,0.059016);(203.295242,0.017538);(203.338135,0.014058);(203.405807,0.037581);(203.450317,0.020878);(203.550797,0.019625);(203.683517,0.020321);(203.704102,0.043566);(203.76091,0.027838);(204.037872,5.753326);(204.166733,0.045375);(204.220093,0.012527);(204.56987,0.023384);(205.039627,0.332241);(205.13446,0.015867);(205.273727,0.01893);(205.430908,0.033127);(205.534134,0.045654);(205.56723,0.017538);(205.623993,0.019765);(205.65416,0.042731);(205.70491,0.05832);(206.032059,0.01545);(206.249207,0.017259);(206.62471,0.021017);(206.963455,0.011413);(207.065796,0.036328);(208.676437,0.011413);(209.245377,0.060547);(212.79335,0.0103);(212.929291,0.017538);(213.121628,0.012109);(213.276138,0.020878);(214.82254,0.016842);(216.640549,0.014476);(218.051422,0.022827);(219.040817,0.014476);(221.025131,0.0412);(221.391785,0.04106);(222.047882,0.038973);(224.182816,0.024915);(227.815582,0.029647);(230.147278,0.037163);(230.536163,0.032292);(232.982361,0.017398);(242.2715,0.048716);(243.965057,0.037302);(244.247543,0.026863);(244.949081,0.024358);(248.970963,0.032431);(249.998993,0.028255);(251.098541,0.028673);(253.041183,0.025611);(254.1465,0.0206);(254.368683,0.037302);(255.012985,0.018094);(255.044022,0.030621);(256.851318,0.014336);(257.04953,0.182754);(258.125854,0.025193);(259.825562,0.0309);(262.17099,0.03605);(264.118225,0.025471);(266.912231,0.013501);(267.498505,0.026306);(270.087402,0.015728);(272.019623,0.045932);(272.650085,0.023384);(274.477997,0.025471);(276.614777,0.015589);(279.565186,0.011413);(280.307343,0.039112);(282.430908,0.039669);(285.033417,0.016842);(285.080017,0.019486);(287.060181,0.02394);(287.093384,0.060268);(287.672211,0.038555);(289.073944,0.031456);(291.109375,0.029229);(298.047943,0.044679);(298.09491,0.029647);(300.499481,0.024636);(301.280548,0.023384);(301.777435,0.020878);(302.026733,0.037302);(302.135193,0.014336);(302.811584,0.015171);(303.061768,0.01879);(303.139038,0.021157);(303.294495,0.011553);(303.408783,0.028116);(303.482269,0.013362);(303.641632,0.031735);(303.811066,0.012109);(303.865967,0.042731);(304.048706,0.029925);(304.121429,0.033683);(304.27829,0.055675);(304.316254,0.023244);(304.392212,0.04106);(304.437958,0.07196);(304.484558,0.01893);(304.531219,0.045514);(304.582062,0.021435);(304.695404,0.02394);(304.800385,0.035771);(304.847931,0.080172);(304.880341,0.061939);(304.933197,0.106757);(304.977264,0.129166);(305.103485,100.0);(305.159332,0.137796);(305.198456,0.038137);(305.24585,0.056093);(305.290039,0.051221);(305.385742,0.039251);(305.472321,0.033544);(305.531891,0.031178);(305.639038,0.051221);(305.732086,0.02394);(305.803925,0.048298);(305.837219,0.032292);(305.962982,0.026724);(306.007751,0.027281);(306.042328,0.225345);(306.107056,11.682168);(306.234619,0.012944);(306.365601,0.017955);(306.489746,0.0206);(306.650909,0.0309);(306.897491,0.021852);(307.107697,0.678401);(307.362457,0.011831);(307.533264,0.016285);(307.77536,0.012527);(307.842163,0.028673);(307.876556,0.022131);(307.973236,0.022409);(308.088013,0.019069);(308.183533,0.027002);(308.218597,0.01364);(308.273102,0.054562);(308.315552,0.032013);(308.375275,0.032431);(308.521881,0.014615);(308.791473,0.014893);(309.226562,0.015728);(309.410828,0.016285);(316.04303,0.028812);(317.063538,0.121093);(322.131866,0.057902);(322.398102,0.01378);(323.126068,0.022688);(323.166687,0.013362);(329.073425,0.03424);(333.16626,0.031317);(340.120178,0.016285);(346.128326,0.026167);(353.058167,0.019625);(369.122711,0.024219);(395.118896,0.028255);(411.322418,0.019208);(432.190643,0.027977);(435.102936,0.014754);(465.122162,0.383601);(484.150085,0.019765);(491.219299,0.016007);(536.326721,0.014893);(572.292847,0.016285);(574.285095,0.025054);(607.311035,0.03257);(626.366821,0.045097);(627.201538,0.037859);(627.363831,0.017398);(636.807434,0.011413);(640.717346,0.010857);(804.030701,0.01197);(1016.126099,0.019904);(1436.991089,0.015311);(1652.670654,0.02575);(2003.028198,0.029229) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (284.0336,0.21421421);(285.0358,0.04704705);(299.0563,1.0);(300.0601,0.13713714);(301.0625,0.03203203) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (299.0566,1.0);(300.0601,0.10710711);(301.0625,0.03903904);(607.1664,0.66166166);(608.1717,0.17417417);(609.1782,0.04804805) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (153.0172,0.01201201);(177.0548,0.01101101);(286.049,0.05205205);(301.0725,1.0);(301.1384,0.01501502);(302.0757,0.16216216);(303.0828,0.03503504) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.0715,0.01601602);(303.0871,0.01201201);(449.1423,0.01701702);(463.121,0.0970971);(464.1243,0.02302302);(465.1341,0.01101101);(609.1802,1.0);(609.2739,0.01201201);(610.1833,0.2962963);(611.1869,0.08908909);(612.192,0.01301301) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (284.0326,0.02502503);(299.0561,1.0);(300.0595,0.14814815);(301.0709,0.0970971);(607.1651,0.06106106);(608.168,0.02202202);(609.1793,0.01401401) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | low | View Spectrum | (299.0563,0.01601602);(607.1658,1.0);(608.1689,0.28328328);(609.1781,0.14914915);(610.182,0.02302302) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (284.0332,0.76176176);(285.0366,0.11111111);(286.0452,0.01601602);(299.0565,1.0);(300.0598,0.15615616);(301.0712,0.10610611);(302.0743,0.01201201) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (284.0323,0.16016016);(285.0359,0.02202202);(299.0557,1.0);(300.0589,0.15615616);(301.0704,0.13013013);(302.0736,0.01201201) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (286.0479,0.01101101);(301.0717,1.0);(301.1376,0.01101101);(302.0748,0.16716717);(303.0827,0.03903904);(463.1219,0.01601602) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (301.0718,0.31131131);(302.0749,0.05805806);(303.0867,0.08108108);(431.1322,0.01101101);(447.1279,0.01001001);(449.1418,0.01501502);(463.1225,1.0);(463.2041,0.01001001);(464.1256,0.24724725);(465.1304,0.05905906);(609.1815,0.36536537);(610.1845,0.11611612);(611.1859,0.03003003) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (301.0715,1.0);(301.1368,0.01001001);(302.0747,0.16916917);(303.0848,0.06406406);(463.1223,0.33433433);(464.1254,0.08308308);(465.1278,0.01801802) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (299.0568,0.61261261);(300.06,0.0960961);(301.0717,0.07207207);(607.1655,1.0);(608.1688,0.3043043);(609.1755,0.1001001);(610.1824,0.01401401) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.06689,0.01301301);(301.0773,0.00900901);(463.12152,0.19219219);(464.12253,0.04504505);(465.1293,0.00600601);(609.03552,0.00500501);(609.09906,0.00800801);(609.12622,0.02102102);(609.18188,1.0);(609.2514,0.00500501) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (85.0263,0.00600601);(129.05673,0.00700701);(286.04742,0.02202202);(287.04803,0.00700701);(301.04004,0.00600601);(301.06915,1.0);(302.07471,0.18118118);(303.08243,0.01401401);(463.08533,0.01401401);(463.12061,0.46146146);(463.14005,0.09309309);(464.09378,0.01301301);(464.12906,0.15715716);(465.11414,0.00700701);(465.13177,0.01201201);(609.12738,0.01501502);(609.18152,0.42342342) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.04731,0.00800801);(85.02934,0.01501502);(129.05121,0.00600601);(301.02084,0.00800801);(301.03619,0.00700701);(301.06943,1.0);(302.07388,0.17317317);(303.08044,0.02102102);(463.12326,0.04704705);(464.12787,0.01201201) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (85.02735,0.00800801);(301.02991,0.01101101);(301.07132,1.0);(302.0748,0.2022022);(303.07388,0.02502503);(303.0892,0.00500501);(463.12247,0.03903904);(464.13211,0.00800801) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.04922,0.00700701);(85.02775,0.00800801);(258.03635,0.00800801);(258.05505,0.06906907);(259.04819,0.00700701);(259.06174,0.01101101);(286.01132,0.03103103);(286.04666,0.45345345);(287.05185,0.09009009);(288.06821,0.00900901);(301.03445,0.00900901);(301.07101,1.0);(302.03775,0.00500501);(302.07477,0.18818819);(303.07419,0.00700701);(303.0878,0.01101101) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.05872,0.00500501);(301.07349,0.00700701);(463.12244,0.18518519);(464.1293,0.03603604);(465.1308,0.01301301);(609.12518,0.02602603);(609.18121,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.04122,0.00500501);(85.0253,0.01001001);(85.03123,0.01401401);(258.0448,0.02102102);(258.05542,0.03603604);(259.04913,0.00700701);(286.0481,0.4964965);(287.03183,0.01401401);(287.04678,0.03503504);(287.05658,0.03703704);(301.0253,0.01001001);(301.0715,1.0);(302.04187,0.00500501);(302.07367,0.22522523);(303.04352,0.00500501);(303.06674,0.00500501);(303.08087,0.01701702);(304.07697,0.00700701) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.06912,0.02402402);(463.12213,0.21021021);(464.12918,0.05405405);(609.11334,0.01001001);(609.18225,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (85.02785,0.00900901);(129.05289,0.00900901);(286.0466,0.01701702);(287.04855,0.00600601);(301.01404,0.00900901);(301.03009,0.01401401);(301.06989,1.0);(302.05109,0.01701702);(302.07281,0.16616617);(302.09317,0.01501502);(303.08081,0.02002002);(304.07828,0.00600601);(463.06894,0.00600601);(463.12164,0.41341341);(464.12555,0.0970971);(465.12857,0.02302302);(609.09613,0.00500501);(609.12164,0.00900901);(609.1817,0.45245245) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (71.04905,0.00700701);(85.02737,0.01401401);(129.05762,0.00900901);(301.06967,1.0);(302.07306,0.17517518);(303.07855,0.02502503);(463.10602,0.01301301);(463.11877,0.03103103);(464.12881,0.01401401) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (85.02991,0.01101101);(258.0423,0.02302302);(258.05585,0.03603604);(286.00189,0.00800801);(286.02652,0.02802803);(286.04898,0.53053053);(286.07355,0.00500501);(286.80731,0.00500501);(287.03128,0.01001001);(287.05157,0.09009009);(287.07043,0.00800801);(288.05533,0.01701702);(301.01404,0.00800801);(301.034,0.01101101);(301.07181,1.0);(302.04654,0.00600601);(302.0741,0.22022022);(303.07968,0.02402402) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (129.05153,0.00600601);(286.03995,0.00800801);(286.05072,0.01401401);(287.03644,0.01001001);(301.01398,0.01601602);(301.07062,1.0);(302.07233,0.15615616);(303.07861,0.03103103);(463.05795,0.00700701);(463.1232,0.41241241);(464.07373,0.00800801);(464.12628,0.10810811);(464.14386,0.04404404);(465.13394,0.03703704);(609.11865,0.00700701);(609.17383,0.25625626);(609.1933,0.25825826) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | medium | View Spectrum | (299.057,1.0);(300.06,0.107);(301.062,0.039);(607.166,0.662);(608.172,0.174);(609.178,0.048) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | high | View Spectrum | (284.034,0.214);(285.036,0.047);(299.056,1.0);(300.06,0.137);(301.062,0.032) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (286.047,0.017);(301.03,0.014);(301.07,1.0);(302.051,0.017);(302.073,0.166);(302.093,0.015);(303.081,0.02);(463.122,0.413);(464.126,0.097);(465.129,0.023);(609.182,0.452) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.069,0.024);(463.122,0.21);(464.129,0.054);(609.113,0.01);(609.182,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (301.03,0.011);(301.071,1.0);(302.075,0.202);(303.074,0.025);(463.122,0.039) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (85.03,0.011);(258.042,0.023);(258.056,0.036);(286.027,0.028);(286.049,0.531);(287.031,0.01);(287.052,0.09);(288.055,0.017);(301.034,0.011);(301.072,1.0);(302.074,0.22);(303.08,0.024) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (286.051,0.014);(287.036,0.01);(301.014,0.016);(301.071,1.0);(302.072,0.156);(303.079,0.031);(463.123,0.412);(464.126,0.108);(464.144,0.044);(465.134,0.037);(609.174,0.256);(609.193,0.258) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.067,0.013);(463.122,0.192);(464.123,0.045);(609.126,0.021);(609.182,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (85.027,0.014);(301.07,1.0);(302.073,0.175);(303.079,0.025);(463.106,0.013);(463.119,0.031);(464.129,0.014) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (258.055,0.069);(259.062,0.011);(286.011,0.031);(286.047,0.453);(287.052,0.09);(301.071,1.0);(302.075,0.188);(303.088,0.011) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (286.047,0.022);(301.069,1.0);(302.075,0.181);(303.082,0.014);(463.085,0.014);(463.121,0.461);(463.14,0.093);(464.094,0.013);(464.129,0.157);(465.132,0.012);(609.127,0.015);(609.182,0.423) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (463.122,0.185);(464.129,0.036);(465.131,0.013);(609.125,0.026);(609.181,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (85.029,0.015);(301.069,1.0);(302.074,0.173);(303.08,0.021);(463.123,0.047);(464.128,0.012) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (85.025,0.01);(85.031,0.014);(258.045,0.021);(258.055,0.036);(286.048,0.496);(287.032,0.014);(287.047,0.035);(287.057,0.037);(301.025,0.01);(301.072,1.0);(302.074,0.225);(303.081,0.017) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (301.072,0.016);(303.087,0.012);(449.142,0.017);(463.121,0.098);(464.124,0.023);(465.134,0.011);(609.18,1.0);(609.274,0.012);(610.183,0.297);(611.187,0.089);(612.192,0.013) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (301.072,0.311);(302.075,0.058);(303.087,0.081);(431.132,0.011);(447.128,0.01);(449.142,0.015);(463.122,1.0);(463.204,0.01);(464.126,0.247);(465.13,0.059);(609.182,0.365);(610.184,0.116);(611.186,0.03) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (301.072,1.0);(301.137,0.01);(302.075,0.169);(303.085,0.064);(463.122,0.334);(464.125,0.083);(465.128,0.018) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (286.048,0.011);(301.072,1.0);(301.138,0.011);(302.075,0.167);(303.083,0.039);(463.122,0.016) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | low | View Spectrum | (299.056,0.016);(607.166,1.0);(608.169,0.283);(609.178,0.149);(610.182,0.023) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (299.057,0.613);(300.06,0.096);(301.072,0.072);(607.166,1.0);(608.169,0.305);(609.176,0.1);(610.182,0.014) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (284.033,0.026);(299.056,1.0);(300.06,0.148);(301.071,0.097);(607.165,0.061);(608.168,0.022);(609.179,0.014) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (284.032,0.16);(285.036,0.022);(299.056,1.0);(300.059,0.156);(301.07,0.13);(302.074,0.012) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | high | View Spectrum | (284.033,0.761);(285.037,0.111);(286.045,0.017);(299.056,1.0);(300.06,0.157);(301.071,0.106);(302.074,0.012) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (153.017,0.012);(177.055,0.011);(286.049,0.052);(301.072,1.0);(301.138,0.015);(302.076,0.162);(303.083,0.035) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.8878038235);(87.04460446,0.787660631);(123.0446045,1.050428965);(145.0500838,0.5720165525);(147.0657338,3.525750953);(163.0606485,0.4948781905);(165.0762985,0.6813891661);(177.0762985,0.8174199428);(189.0762985,0.5004775263);(219.0868632,0.5593668931);(249.0974279,0.9217171718);(279.1079926,0.4473465775);(283.0606485,0.5708642232);(285.039913,1.833056887);(285.0762985,1.41690501);(301.0712131,35.82660251);(305.1025133,0.4131760693);(307.1181633,0.4134222066);(309.1185573,2.053823165);(309.1338134,0.4134222066);(427.1029072,0.5097919374);(445.1134719,1.794239884);(445.1134719,2.815229828);(447.1291219,0.484129397);(463.1240366,2.693979075);(485.1295159,0.4080472649);(573.160816,1.586587423);(577.1557306,0.619065182);(579.1713807,0.4426416619);(591.1713807,18.49639664);(609.1819454,15.96236304) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (45.03403978,1.106968017);(123.0446045,1.825359654);(129.0551691,1.553621171);(145.0500838,0.5053727941);(147.0657338,4.877434391);(161.0449984,0.4302835765);(163.0606485,2.247339126);(165.0762985,1.374191051);(179.0344337,0.5629521144);(255.0293483,0.4627347067);(271.0606485,0.6826253493);(273.0762985,0.5634463948);(283.0606485,3.98957606);(285.039913,6.283246261);(285.0762985,0.7881081781);(291.1079926,0.652245188);(301.0712131,53.36858991);(309.1185573,1.432790273);(341.0661278,0.3852661701);(433.1134719,0.5901986236);(445.1134719,3.376723481);(445.1134719,2.162094356);(447.0927364,0.3889004123);(447.1291219,0.5591421379);(463.1240366,3.948677643);(573.160816,0.7637717384);(577.1557306,0.6084920372);(579.1713807,0.4871158344);(579.1713807,0.4166165124);(591.1713807,2.472307148);(609.1819454,1.133809689) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (45.03403978,2.328931269);(57.03403978,1.868807559);(75.04460446,1.426624774);(87.00821896,1.153069917);(87.04460446,1.517397885);(123.0446045,7.236390964);(131.0708192,1.626272469);(145.0500838,1.271768967);(147.0657338,3.888585396);(149.0602545,1.841955917);(153.0187836,1.207484444);(159.0657338,1.148141491);(161.0449984,1.468959885);(161.0813839,1.405077614);(163.0606485,6.130132256);(177.0762985,1.477996842);(179.0344337,1.494880573);(255.0293483,1.621344976);(259.0606485,1.106550525);(271.0817778,1.153598465);(283.0606485,3.700513974);(285.039913,15.03040354);(285.0762985,1.350874322);(301.0712131,29.17491036);(307.1181633,1.156117831);(309.1338134,1.156117831);(311.1494635,1.111451834);(313.1651135,1.111451834);(315.1807636,1.111451834);(549.160816,1.148561265);(591.1713807,1.574173188) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (56.99765427,2.602526583);(57.03403978,1.160831826);(59.01330434,0.9781823607);(71.01330434,0.8102935795);(73.0289544,2.106842152);(87.00821896,2.436105914);(87.04460446,2.149850424);(89.02386902,1.108443019);(101.023869,0.9820146274);(117.0551691,1.299210266);(133.0500838,0.773754051);(145.0500838,4.811060992);(163.0606485,6.946772534);(219.0868632,0.7951229368);(235.0817778,1.511768519);(249.0974279,2.125295756);(279.1079926,1.851414092);(283.0242629,2.193272515);(299.0555631,19.87231347);(307.1029072,0.8390227992);(341.0661278,1.373027277);(357.0610424,0.8051152462);(443.0978218,0.9038173408);(443.0978218,1.336463457);(461.1083865,5.259224354);(503.1189512,1.146465637);(519.1138658,1.39706525);(521.1295159,0.8130034416);(577.1557306,0.9625821297);(589.1557306,6.035116302);(607.1662953,22.61402115) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (43.01838972,3.085527313);(59.01330434,2.091011087);(71.01330434,0.9676603958);(73.0289544,1.339142926);(87.00821896,1.281863902);(87.04460446,1.147183643);(89.02386902,4.052367545);(133.0500838,1.037127252);(145.0500838,11.05108101);(161.0449984,1.170384606);(163.0606485,8.458240402);(205.0712131,0.8202753061);(257.0449984,2.264112429);(269.0449984,1.249591195);(277.0923425,0.7649694882);(279.1079926,1.006755517);(281.0449984,0.9929586612);(283.0242629,12.34947804);(299.0555631,27.91654734);(307.1029072,0.6918191096);(341.0661278,1.115696088);(357.0610424,0.8561303841);(443.0978218,0.7705271319);(443.0978218,1.178979836);(445.0770864,0.9453425054);(461.1083865,1.640821095);(577.1557306,0.9096909676);(589.1557306,3.073634586);(589.1557306,1.91152345);(591.1349952,1.463918394);(607.1662953,2.395638399) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,1.408742219);(43.01838972,3.265893641);(55.01838972,1.737121968);(56.99765427,0.7151493538);(57.03403978,1.750155949);(59.01330434,2.471932631);(73.0289544,2.419620166);(85.0289544,0.943762228);(89.06025453,0.6748018866);(145.0500838,3.000557488);(147.0446045,1.704084132);(163.0606485,5.499895947);(187.0606485,0.8175310476);(191.0919486,0.6623856113);(205.0712131,0.7534956423);(227.0344337,0.5052425272);(229.0136983,0.6032070389);(243.0293483,0.5380887683);(253.0136983,1.079057265);(255.0293483,3.559974589);(257.0449984,3.987086249);(267.0293483,0.5303268191);(269.0449984,2.369004351);(281.0449984,1.175114156);(283.0242629,22.67753617);(283.0606485,0.6356727435);(299.0555631,31.41986724);(339.0504777,0.8439896192);(341.0661278,0.6588949228);(369.0610424,0.6867037982);(415.1240366,0.9051038394) |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Diosmin | Diosmetin | human | plasma | host-gut microbiota co-metabolite | 1h-3h | 200-500 nmol/L | No data | C16H12O6 | 300.063388106 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|