Identification

PhytoHub ID
PHUB000381
Name
Hesperidin
Systematic Name
Not Available
Synonyms
  • Ciratin
  • Hesperetin 7-O-rutinoside
CAS Number
Not Available
Average Mass
610.565
Monoisotopic Mass
610.189770395
Chemical Formula
C28H34O15
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}-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
QUQPHWDTPGMPEX-LLHRBZKSSA-N
InChI Identifier
InChI=1S/C28H34O15/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/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
SMILES
COC1=C(O)C=C(C=C1)C1CC(=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

Calculated Properties

Solubility (ALOGPS)
2.69e+00 g/l
LogS (ALOGPS)
-2.36
LogP (ALOGPS)
-0.27
Hydrogen Acceptors
15
Hydrogen Donors
8
Rotatable Bond Count
7
Polar Surface Area
234.28999999999996
Refractivity
140.76700000000005
Polarizability
60.286453888810016
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.612182351683661
pKa (strongest acidic)
8.609445995469542
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

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", "Aryl alkyl ketones", "Chromones", "Disaccharides", "Flavanones", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Phenoxy compounds", "Polyols", "Secondary alcohols", "Vinylogous acids"]
External Descriptor Annotations
Not Available
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", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Disaccharide", "Ether", "Flavan", "Flavanone", "Flavonoid-7-o-glycoside", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "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", "Secondary alcohol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.094731,0.00004034);(50.22142,0.00006903);(50.378933,0.00005037);(50.56859,0.00009197);(50.944941,0.00005583);(51.300721,0.00006038);(51.583345,0.00003677);(51.97598,0.00003461);(52.673644,0.00004047);(52.724351,0.00006329);(53.311706,0.00005846);(53.412444,0.00005054);(53.439379,0.00007113);(53.520334,0.00005545);(53.643406,0.00004584);(53.672672,0.00005395);(53.805618,0.00006986);(53.850155,0.00003514);(54.935932,0.00005138);(55.017525,0.00004594);(55.052373,0.00004545);(55.307591,0.00005969);(55.354299,0.00003448);(55.796452,0.00004642);(55.82069,0.00004211);(55.953134,0.00003995);(56.009905,0.00005093);(56.170672,0.00006342);(56.948801,0.00006181);(57.033322,0.00004473);(57.888959,0.00004748);(58.048132,0.0000337);(58.449339,0.00007673);(58.771261,0.00003425);(58.778356,0.00006799);(58.848312,0.00008925);(59.012516,0.00850686);(59.207791,0.00005937);(59.525329,0.00004497);(59.912173,0.00006449);(60.112863,0.00006403);(60.417233,0.0000443);(61.414192,0.00005862);(61.986994,0.0253452);(62.077007,0.00004877);(62.486535,0.00003795);(63.03769,0.00009942);(63.723233,0.00005957);(63.961093,0.02209079);(64.069628,0.00006309);(64.269794,0.00004202);(64.286297,0.00004453);(64.301262,0.00004188);(64.719614,0.00006448);(65.050232,0.00004251);(65.34285,0.00005073);(65.6575,0.00009491);(65.896948,0.00004697);(65.956897,0.00027511);(66.527467,0.00005902);(66.957651,0.00006797);(67.755643,0.00003787);(67.835658,0.00003279);(68.576318,0.0000896);(68.758456,0.00006823);(69.142053,0.00006097);(69.322031,0.00003629);(69.644158,0.0000651);(69.948089,0.00004802);(70.88878,0.00004211);(71.012499,0.00151513);(71.087624,0.00005286);(71.643039,0.00007096);(71.752267,0.00006005);(72.062573,0.0000463);(72.316554,0.00009462);(73.012217,0.00007616);(73.028128,0.00077635);(73.628305,0.00007213);(74.007337,0.00006549);(74.219674,0.00005469);(74.325647,0.00004288);(74.471455,0.00007485);(74.486536,0.00004155);(74.547722,0.00003901);(74.95433,0.00005336);(75.392713,0.00007384);(75.607953,0.00004683);(75.712216,0.00003839);(76.001309,0.00003259);(76.05078,0.00003732);(76.430361,0.00007279);(76.499975,0.00003969);(77.001682,0.00004406);(77.299408,0.00007225);(77.860187,0.00004374);(78.262544,0.00005711);(78.791521,0.00005904);(78.927995,0.00003578);(78.984565,0.03501232);(79.955994,0.00682282);(79.983665,0.00004449);(80.114341,0.00006106);(80.118063,0.00006234);(80.277766,0.00003569);(80.669276,0.00003828);(80.963807,0.00037235);(80.980375,0.00076058);(81.287052,0.0000938);(81.329095,0.00004442);(82.052916,0.00007168);(82.255827,0.00009681);(82.619395,0.0000388);(83.012522,0.00331086);(83.056147,0.00005285);(83.213195,0.00004339);(83.472603,0.00006038);(83.881897,0.00003827);(83.982266,0.00007116);(84.987482,0.00003785);(85.028165,0.00014352);(85.466031,0.00005121);(85.47243,0.00005664);(85.890643,0.00003588);(86.457739,0.0001013);(86.727484,0.00006087);(87.007399,0.00049051);(87.043067,0.00005024);(87.304388,0.00003513);(87.475431,0.00005686);(87.987763,0.00003605);(89.023114,0.00073826);(89.041469,0.00086526);(89.245907,0.00006595);(89.548544,0.00004429);(89.580943,0.00005413);(89.60112,0.00004071);(89.741804,0.00006378);(90.965609,0.00006754);(91.021017,0.00004925);(91.251612,0.00006204);(92.312081,0.00005192);(93.777848,0.00005481);(94.979566,0.05858693);(95.292316,0.00006314);(95.527388,0.0000589);(95.867207,0.00003464);(95.950965,0.00037172);(95.982805,0.00011684);(96.918138,0.00005658);(96.958809,0.02009108);(96.97531,0.0015967);(97.336852,0.00006011);(98.165355,0.00006231);(98.765074,0.00006015);(98.95459,0.00024554);(99.431206,0.00004123);(99.699201,0.00004922);(99.92445,0.00014011);(100.390062,0.00006238);(100.932331,0.000677);(101.023116,0.00111892);(101.323177,0.00006646);(101.397388,0.00008271);(102.063798,0.00005645);(102.382774,0.00004585);(103.067548,0.00005407);(103.716261,0.00006341);(104.453886,0.00006969);(104.787138,0.00005572);(106.120914,0.00004117);(107.012659,0.00022274);(107.070927,0.00007333);(107.368995,0.00005163);(107.398112,0.00004685);(107.993958,0.0000478);(108.150866,0.00009144);(108.375816,0.00006998);(109.175106,0.00004421);(110.557625,0.00005017);(110.737326,0.00003864);(110.956724,0.00323093);(110.974477,0.00594253);(110.988164,0.00006347);(111.007389,0.0000479);(111.1297,0.00003934);(111.643855,0.00004564);(112.689263,0.00003934);(113.023041,0.00025382);(113.75468,0.00009686);(114.860802,0.00004988);(114.881341,0.00003739);(115.919467,0.00230295);(116.919814,0.00004197);(116.927232,0.0007719);(117.176865,0.00006981);(117.307037,0.00003679);(117.701517,0.00006835);(117.864296,0.0000681);(119.091785,0.00004954);(119.463955,0.00006574);(120.452132,0.00004702);(122.312451,0.0000569);(123.018364,0.00004572);(123.043869,0.00011181);(123.718136,0.00004709);(124.16328,0.00004077);(125.023226,0.04643975);(126.026501,0.00226142);(127.516878,0.00004953);(127.620394,0.00004136);(127.851961,0.00003665);(128.145772,0.00006863);(128.198881,0.00007795);(128.726555,0.00005442);(129.256177,0.00005751);(130.943039,0.00042314);(131.942635,0.00004861);(132.914741,0.00004556);(133.378264,0.00008522);(134.036256,0.00164233);(134.191576,0.00004301);(134.206701,0.00005027);(135.044192,0.00159838);(135.300744,0.00008127);(135.939561,0.00003182);(137.023263,0.00027203);(138.02585,0.00005883);(140.984689,0.00005821);(141.366639,0.00004561);(141.613472,0.0000676);(141.928319,0.00011283);(142.364727,0.00004757);(142.979856,0.000493);(144.609102,0.00004216);(146.202339,0.00004698);(149.008578,0.00009751);(149.017042,0.00007824);(149.023407,0.00111533);(149.059639,0.00356881);(149.19903,0.00004375);(151.002578,0.02903061);(151.050372,0.00004093);(152.005765,0.00122369);(153.018038,0.000051);(153.955684,0.00005902);(157.944671,0.00003938);(158.035999,0.00012193);(159.038505,0.00004232);(160.016384,0.00014411);(160.092502,0.00003798);(160.60135,0.00004432);(162.972985,0.00009241);(164.01057,0.01339541);(165.018543,0.00126955);(165.038713,0.00004313);(165.209424,0.00003851);(165.381879,0.00005262);(167.034003,0.0008208);(171.171558,0.00004978);(171.56895,0.00003779);(172.819409,0.00006409);(173.05995,0.00164808);(173.946173,0.00004901);(174.031403,0.00528367);(174.281518,0.00004216);(175.002824,0.00076577);(175.039291,0.00170678);(176.46488,0.00004022);(177.018517,0.00366589);(178.560408,0.0000591);(179.034261,0.00012155);(179.412518,0.00004763);(179.778281,0.00007963);(179.882148,0.00005874);(185.023843,0.00011188);(186.822313,0.00007282);(186.833308,0.00003811);(188.620088,0.00006568);(191.034111,0.00090194);(191.070792,0.00081102);(192.829796,0.00004724);(193.013666,0.00061445);(193.087443,0.00005659);(195.562127,0.0000477);(196.000733,0.00130628);(196.10136,0.00006177);(197.536674,0.00006758);(199.039517,0.0084372);(199.257197,0.00005148);(200.047491,0.00038692);(200.646298,0.00009355);(201.01877,0.00527691);(201.634253,0.0000503);(202.026352,0.00022323);(204.067452,0.00005094);(205.013195,0.00019816);(205.04988,0.00013855);(205.071245,0.00005628);(205.586733,0.00003758);(209.04484,0.00010836);(210.372551,0.00010432);(210.900695,0.0000488);(211.024269,0.00004277);(212.106943,0.00004888);(213.011596,0.00018106);(213.055293,0.00053737);(213.802918,0.00079674);(213.815265,0.00217862);(213.830472,0.00239446);(213.842153,0.00268858);(213.849253,0.0015937);(213.855998,0.00243046);(213.863355,0.002915);(213.870618,0.00129281);(213.879461,0.00156674);(214.0632,0.00025714);(215.011394,0.00021901);(215.034381,0.0060855);(215.070907,0.00293116);(215.575041,0.00005408);(216.039382,0.00005328);(217.002956,0.00016683);(217.050208,0.0071104);(218.054578,0.00007884);(218.905919,0.00006709);(220.576779,0.00010059);(223.02805,0.00116814);(224.0478,0.00125097);(225.628574,0.00007792);(227.034443,0.00216379);(227.266854,0.00005219);(229.050541,0.00031092);(229.552759,0.00005416);(230.058289,0.00009768);(231.029472,0.00004511);(233.081405,0.00721863);(234.085152,0.00012921);(234.354815,0.00007325);(234.534175,0.00004452);(235.024674,0.00080183);(236.025949,0.00006397);(239.036102,0.00004314);(239.071113,0.00221201);(240.042687,0.00166339);(241.050275,0.00501516);(242.058151,0.02946194);(243.028772,0.00004374);(243.061579,0.00461715);(245.799173,0.000058);(246.766203,0.00004952);(247.278667,0.00010165);(248.07985,0.00045474);(248.950753,0.00005215);(249.079131,0.00004466);(251.030112,0.00005377);(254.857643,0.00003998);(255.065476,0.00004447);(255.232891,0.00444247);(256.037668,0.00004507);(256.236211,0.0000736);(257.046181,0.0004941);(257.081891,0.02630456);(258.053161,0.01021984);(258.085198,0.00423165);(259.059213,0.00145867);(259.997744,0.00009375);(260.80401,0.00003808);(262.167046,0.00007436);(265.299439,0.00007183);(268.037395,0.00357106);(269.045513,0.00393433);(270.049084,0.00015464);(271.060983,0.00031352);(273.26156,0.00007263);(274.045858,0.00004744);(282.052887,0.0016552);(283.025051,0.00087211);(283.043648,0.00008342);(283.061066,0.02768049);(283.264066,0.00078883);(284.032606,0.01620767);(284.064288,0.00443876);(285.040272,0.01117298);(285.076351,0.0001286);(286.048185,0.0715331);(287.052645,0.01378518);(288.054652,0.0005061);(297.040775,0.0000471);(297.077278,0.0002066);(297.152406,0.00029508);(298.04791,0.00156695);(299.055938,0.06833674);(299.456116,0.00005747);(300.027515,0.00377413);(300.059412,0.01243139);(301.03937,0.00256588);(301.071723,1.0);(302.075083,0.17557105);(303.07729,0.0258777);(303.886216,0.00010327);(304.079574,0.00184094);(304.221468,0.00008522);(307.061517,0.00130492);(307.933804,0.00006496);(310.04837,0.00291985);(311.052997,0.00009966);(311.168769,0.00352646);(313.03604,0.00016829);(314.043328,0.00006166);(314.87826,0.00004822);(315.051186,0.015021);(315.086951,0.00266205);(316.054575,0.00234548);(317.065814,0.00032461);(321.585529,0.00006885);(323.021461,0.00059032);(323.053668,0.00482057);(324.060246,0.00005533);(324.361236,0.00005139);(325.037771,0.00007265);(325.071706,0.03141806);(325.184478,0.00221531);(326.075052,0.00605103);(326.185992,0.00011958);(327.732605,0.00003979);(328.059478,0.00042109);(3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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(50.306299,0.00034833);(51.304994,0.00028921);(51.557641,0.00029481);(51.940726,0.00529756);(52.360726,0.00029311);(53.002954,0.00078017);(53.039344,0.00059986);(55.018519,0.00095092);(55.054966,0.01253648);(55.330173,0.00030853);(55.935116,0.00775508);(56.965525,0.05685171);(57.034223,0.02035248);(57.070614,0.03436155);(57.710348,0.00027403);(57.91051,0.00029938);(58.042013,0.00095593);(58.06586,0.00087156);(59.049823,0.00185546);(59.061121,0.01226964);(59.277044,0.00026605);(59.279983,0.00029335);(59.589414,0.00029548);(61.011367,0.0755574);(61.029145,0.00071905);(61.64492,0.00027484);(62.014398,0.00031119);(62.019164,0.0091607);(63.007188,0.00136296);(63.853573,0.00027783);(63.998479,0.00178752);(67.018513,0.01552728);(67.054895,0.00387058);(67.977043,0.0003246);(68.057981,0.00031789);(68.943413,0.00027547);(68.997793,0.00689811);(69.034172,0.00978895);(69.070535,0.00454117);(69.338485,0.00026754);(69.734049,0.00035168);(69.74671,0.00027772);(70.065808,0.0002982);(70.958499,0.00759763);(71.013461,0.00033539);(71.049797,0.05780177);(71.086168,0.00886922);(72.93777,0.01093447);(73.029015,0.00849317);(73.047446,0.02217858);(73.06538,0.00085343);(74.964803,0.00033622);(74.976176,0.00035235);(75.044539,0.00096413);(76.904158,0.00027779);(79.021762,0.03058285);(79.054845,0.00260941);(79.296071,0.00027225);(81.034034,0.00343804);(81.07045,0.00290022);(81.747072,0.00030937);(82.340607,0.0002809);(83.049679,0.00433639);(83.086092,0.00174377);(84.094229,0.00027137);(84.96019,0.00134903);(85.028949,0.06313451);(85.101756,0.00135712);(86.032314,0.00039483);(87.044519,0.00441324);(88.968902,0.00116515);(89.039071,0.00762302);(89.060203,0.01430445);(89.413008,0.00034007);(90.254338,0.00030262);(90.948145,0.00505178);(91.054745,0.01467696);(91.057815,0.05305765);(92.444489,0.00027893);(92.743969,0.00026663);(93.037067,0.00028548);(93.054472,0.00030269);(93.070335,0.00284341);(95.049575,0.00126726);(95.085936,0.00189586);(95.37307,0.00036903);(97.028817,0.00705377);(97.076496,0.00032454);(97.596129,0.00028608);(97.985568,0.00036883);(98.975757,0.02249861);(100.007883,0.00030374);(101.378034,0.00032816);(101.706018,0.00028659);(102.948601,0.00035916);(103.242618,0.0003006);(104.934819,0.00028958);(105.070196,0.00563941);(105.444164,0.00029602);(107.049474,0.00058322);(107.085615,0.0003437);(107.737501,0.00028211);(109.341066,0.00027239);(110.975548,0.00193443);(111.007711,0.00088163);(111.025244,0.0002875);(111.044477,0.00184252);(111.606204,0.00034203);(111.783868,0.00029282);(115.414695,0.00027801);(116.655731,0.00026971);(116.986059,0.01389761);(117.033686,0.00742523);(117.070087,0.00060673);(118.933153,0.00028674);(119.001804,0.00171569);(119.049257,0.00053962);(119.085661,0.00070236);(120.940594,0.00060533);(121.028468,0.00035642);(121.065011,0.00047722);(121.101514,0.00043192);(122.190995,0.00027337);(123.034988,0.00029506);(123.043983,0.00069785);(123.557997,0.00029036);(126.629395,0.00027037);(127.039063,0.00034122);(128.198343,0.00034281);(128.963768,0.00446132);(128.986058,0.00580983);(129.590848,0.00026892);(131.001283,0.00092533);(131.085565,0.00141179);(132.958283,0.00753027);(134.036282,0.00077859);(134.955897,0.0013166);(134.973438,0.00027625);(134.996319,0.00177887);(135.04408,0.01164273);(135.262909,0.00027815);(136.369244,0.00033296);(137.059683,0.00764821);(137.111095,0.00026602);(143.001377,0.00085935);(143.085239,0.00040109);(144.958161,0.00082349);(145.02849,0.00477077);(146.974312,0.047399);(146.996365,0.00259217);(147.002923,0.0003014);(147.116901,0.00038356);(147.745227,0.00027834);(147.974559,0.00133335);(148.972033,0.00561367);(149.059757,0.01507017);(149.742145,0.00027187);(149.797289,0.00028992);(150.950893,0.00386832);(150.96879,0.01332126);(151.039166,0.00127641);(153.01818,0.16251814);(153.959275,0.00036952);(154.021641,0.00811357);(155.048752,0.00039239);(156.553198,0.0003858);(158.973806,0.00130886);(160.438509,0.00031035);(161.01189,0.0018906);(163.027591,0.00332197);(163.038924,0.01671016);(165.018157,0.00038844);(167.055465,0.00117863);(168.008027,0.00110197);(168.961816,0.00037433);(169.064433,0.00037449);(170.963484,0.00462011);(171.028723,0.02932034);(173.191439,0.00026756);(174.213059,0.00029892);(175.038419,0.00047844);(176.999069,0.00034665);(177.054559,0.03413867);(178.057983,0.0004134);(178.97866,0.00130965);(179.000494,0.00055732);(179.033942,0.00265528);(180.888068,0.02429815);(184.883628,0.00035638);(186.878373,0.0116532);(186.935062,0.00036782);(188.974126,0.00296415);(192.009402,0.00177478);(193.862249,0.00036497);(194.973278,0.00050809);(195.029373,0.00151505);(198.898773,0.00159973);(199.777199,0.00026599);(201.006962,0.00063749);(201.054693,0.00038795);(201.92145,0.00028564);(202.89311,0.00043767);(202.978958,0.00031093);(203.14302,0.00040874);(203.881369,0.000617);(204.888428,0.02196764);(206.9256,0.00034328);(207.053935,0.00059492);(207.875913,0.00179895);(207.981539,0.00139844);(208.883541,0.00218649);(209.891307,0.00435673);(210.02,0.02743376);(214.893929,0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;(338.846386,0.00462817);(341.981342,0.00810145);(342.206552,0.0003232);(342.833003,0.00238537);(342.898934,0.00036402);(342.989359,0.01876922);(343.992731,0.00120721);(344.019976,0.01228363);(344.828468,0.03624365);(345.026565,0.00284217);(345.831689,0.00058572);(346.844911,0.00030667);(351.824995,0.00539642);(351.845906,0.03330319);(352.853463,0.00459534);(353.841434,0.18532111);(354.848254,0.05167012);(355.847257,0.00285399);(356.848243,0.00217932);(357.97658,0.00036063);(358.84335,0.0859282);(359.043007,0.00329381);(359.845942,0.00450568);(360.838487,0.45687553);(361.389552,0.00027361);(361.840669,0.05839939);(362.841162,0.00837984);(364.833554,0.00038464);(365.146494,0.00237643);(365.841646,0.00029472);(367.840486,0.01405267);(368.843869,0.00035583);(369.836066,0.10646845);(370.839852,0.01253747);(371.852059,0.02193106);(375.986255,0.00039781);(376.853942,0.0291423);(377.054208,0.00284914);(377.202947,0.00029899);(378.849226,0.15910981);(379.162936,0.00045501);(379.85119,0.01864145);(380.852505,0.00082806);(381.999587,0.00028752);(383.155864,0.00208957);(383.852896,0.00034119);(385.851608,0.00145927);(387.150426,0.0007764);(387.846954,0.036102);(387.871134,0.00031132);(388.84945,0.00033057);(392.864864,0.00085768);(394.844218,0.00650554);(397.171949,0.00061051);(401.166194,0.04252346);(402.169325,0.0046109);(405.161106,0.00758469);(406.164602,0.00238249);(406.844461,0.00365215);(407.158817,0.00063333);(415.181806,0.03268617);(416.184465,0.00456595);(419.176765,0.07218091);(420.179957,0.01295188);(421.174636,0.00112845);(423.171483,0.00056399);(433.192718,0.03476679);(434.195916,0.00434875);(437.187219,0.00938359);(447.346123,0.00206393);(451.203747,0.00162144);(457.504441,0.00029028);(465.41356,0.00035918);(513.528811,0.00032034);(557.404543,0.00028009);(567.250207,0.00031255)
LC-MS/MS ESI- LC-Q-TOF/MSPositivelowView Spectrum(71.0507,0.171);(85.0299,0.253);(129.0564,0.112);(153.0198,0.348);(177.056,0.259);(179.0358,0.065);(195.0307,0.103);(219.0307,0.046);(245.0454,0.042);(263.0567,0.062);(303.0877,0.999);(345.0984,0.064);(369.0991,0.04);(413.1249,0.069);(431.1354,0.074);(449.1454,0.171);(465.1396,0.115);(611.1976,0.062)
LC-MS/MS ESI- LC-Q-TOF/MSNegativelowView Spectrum(151.0051,0.067);(164.0128,0.113);(242.0609,0.065);(286.0518,0.089);(301.0735,0.999);(609.1819,0.378)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(27.0234751,0.7879671338);(87.04460446,0.7086154759);(123.0446045,0.8385350424);(125.0602545,0.6438887677);(145.0500838,0.5594659308);(147.0657338,3.069656099);(149.0602545,1.515028808);(151.0759046,1.785064734);(153.0187836,1.352649637);(165.0762985,0.5996507409);(167.0708192,1.039083435);(177.0762985,0.7081941687);(219.0868632,0.6428992553);(249.0974279,1.001788054);(285.0762985,1.81707731);(285.0762985,9.048248814);(287.0555631,1.278663118);(287.0919486,1.186297493);(301.0712131,0.5086642414);(303.0868632,26.77297668);(309.1185573,1.924201606);(327.1291219,0.5095388427);(433.1346012,1.35690143);(447.1291219,3.978262741);(459.1138658,0.5190648041);(461.1295159,2.533756741);(465.1396866,2.234400744);(575.1764661,1.370380054);(579.1713807,0.5494491059);(593.1870307,16.2658845);(611.1975954,12.89374449)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(45.03403978,0.9297125755);(123.0446045,0.7763861973);(125.0602545,0.7375468723);(129.0551691,1.362026654);(137.023869,5.720490849);(145.0500838,0.5682843319);(147.0657338,4.194230046);(149.0602545,1.129251806);(151.0759046,1.914681172);(153.0187836,3.587850652);(153.0551691,0.7931576026);(163.0606485,1.791987201);(165.0762985,1.201173379);(177.0551691,0.9486422245);(271.0606485,0.7610072962);(273.0762985,5.360787912);(285.0762985,13.49327746);(285.0762985,3.485299455);(287.0555631,3.029006374);(287.0919486,0.6370172363);(291.1079926,0.5770504649);(299.0766924,0.939151075);(301.0712131,1.294243839);(303.0868632,31.78194684);(309.1185573,1.33978074);(447.1291219,4.193002974);(461.1295159,0.5439685266);(465.1396866,2.930166468);(575.1764661,0.614042596);(593.1870307,2.535385119);(611.1975954,0.8294440602)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(45.03403978,1.977004939);(75.04460446,1.375694521);(77.03912516,1.020450244);(87.04460446,1.077055074);(123.0446045,6.2070101);(131.0708192,1.362072705);(137.023869,3.51281174);(145.0500838,1.665437752);(147.0657338,3.384098087);(149.0602545,4.833965988);(151.0759046,4.528962273);(153.0187836,9.13064836);(153.0551691,1.186227174);(155.0344337,2.655044768);(161.0449984,1.402302152);(161.0813839,1.205283152);(163.0606485,5.708143245);(167.0708192,2.855452743);(177.0551691,1.036172105);(193.0500838,1.201081704);(271.0817778,2.54176853);(285.0762985,5.2076287);(285.0762985,3.957540234);(287.0555631,3.831288124);(287.0766924,1.919425545);(287.0919486,1.619736358);(303.0868632,15.5521844);(313.0923425,2.443860195);(447.1291219,1.074233643);(549.160816,1.488744983);(593.1870307,3.038670462)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(56.99765427,2.811892564);(57.03403978,1.110002677);(59.01330434,0.9725078729);(73.0289544,1.972971157);(87.00821896,2.609625508);(87.04460446,2.053585165);(89.02386902,1.079757735);(101.023869,1.019331044);(117.0551691,1.259667841);(123.0446045,1.296737034);(145.0500838,4.347614781);(163.0606485,6.871716261);(219.0868632,0.7901500654);(235.0817778,1.439650847);(249.0974279,2.091610792);(279.1079926,1.757054732);(283.0606485,3.052758904);(285.039913,1.952197499);(295.1029072,1.027770452);(301.0712131,17.76628321);(307.1029072,0.9708137354);(325.1134719,0.8412910316);(343.0817778,1.301545738);(431.1189512,1.850689434);(445.1134719,2.130179767);(463.1240366,5.050470019);(505.1346012,1.142840414);(521.1295159,1.441354284);(523.1451659,0.7733062202);(591.1713807,6.686638659);(609.1819454,20.52798456)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(43.01838972,2.90426429);(59.01330434,2.078271089);(71.01330434,0.8812483883);(73.0289544,1.307416149);(87.00821896,1.342912989);(87.04460446,1.132271374);(89.02386902,4.472415678);(133.0500838,1.04310174);(145.0500838,10.84183794);(151.0031336,0.9190166826);(161.0449984,1.142920669);(163.0606485,9.802960734);(259.0606485,1.532669746);(269.0449984,1.361310291);(271.0606485,1.062878264);(279.1079926,0.9735442303);(283.0606485,2.119358555);(285.039913,10.5573093);(301.0712131,24.12798741);(307.1029072,1.531989208);(313.0712131,0.9417103731);(325.1134719,1.217662455);(343.0817778,1.205132134);(359.0766924,0.8310095429);(431.1189512,1.087455164);(445.1134719,1.475033612);(447.0927364,0.9619290723);(463.1240366,1.549773975);(591.1713807,6.195159656);(593.1506452,1.247926089);(609.1819454,2.151523194)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,1.456501861);(43.01838972,3.204593978);(55.01838972,1.633265754);(57.03403978,1.775427861);(59.01330434,2.697753572);(73.0289544,2.061507818);(85.0289544,1.108399651);(103.0395191,0.777858742);(123.0446045,2.259959233);(135.008219,0.8352958462);(145.0500838,2.814433148);(147.0446045,1.090553874);(149.023869,1.460784482);(149.0602545,2.746323158);(151.0031336,1.020104923);(163.0606485,8.323407227);(165.0551691,1.007433662);(177.0187836,0.7886266605);(187.0606485,0.8184115727);(231.0657338,1.299571441);(255.0293483,0.9746908575);(257.0449984,2.17517464);(259.0606485,2.613377986);(269.0449984,3.235705816);(271.0606485,1.558487086);(283.0606485,1.189596633);(283.0606485,2.14293365);(285.039913,15.14144262);(299.0555631,1.751157231);(301.0712131,29.27888835);(519.1502513,0.7583306593)

Food Sources

NameGroup
Grapefruit juiceBeverages, Non-alcoholic PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
Sweet orangeFruit, CitrusShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Hesperidin Hesperetinhumanplasma, urinegut microbiota metabolite5h-8h200-500 nmol/L5-10%C16H14O6302.079038171 Detailed Intervention Studies Publications
Hesperidin 3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acidhumanurine (major)gut microbiota metaboliteNot AvailableNot AvailableNot AvailableC10H12O5212.068473486 Publications
Hesperidin Hesperetin-3',7-diglucuronideratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC28H30O18654.143214126 Publications
Hesperidin Hesperetin-3'-glucuronidehuman ratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC22H22O12478.111126148 Detailed Intervention Studies Publications
Hesperidin Hesperetin-3'-sulfatehumanplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC16H14O9S382.035853205 Detailed Intervention Studies Publications
Hesperidin Hesperetin 5,7-diglucuronidehuman ratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC28H30O18654.143214126 Publications
Hesperidin Hesperetin-7-glucuronidehuman ratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC22H22O12478.111126148 Detailed Intervention Studies Publications
Hesperidin Hesperetin glucuronidehumanurinehost metabolismNot AvailableNot Available1-5%C22H22O12478.4099437 Publications
Hesperidin Hesperetin sulfoglucuronidehuman ratplasma, urinehost metabolismNot AvailableNot Available<1%C22H22O15S558.4722484 Detailed Intervention Studies Publications
Hesperidin Hesperetin-5-sulfatehumanplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC16H14O9S382.035853205 Publications
Hesperidin Dihydroisoferulic acidin vitro (human)Not AvailableNot AvailableNot AvailableNot AvailableNot AvailableC10H12O4196.073558866 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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