Identification

PhytoHub ID
PHUB002022
Name
Methyl carnosate
Systematic Name
Not Available
Synonyms
  • methyl (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-c
CAS Number
Not Available
Average Mass
346.467
Monoisotopic Mass
346.214409446
Chemical Formula
C21H30O4
IUPAC Name
methyl (4aR)-5,6-dihydroxy-1,1-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylate
InChI Key
IIJLVJMZYPZQLW-MZVUKIKXSA-N
InChI Identifier
InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15?,21-/m1/s1
SMILES
COC(=O)[C@]12CCCC(C)(C)C1CCC1=CC(C(C)C)=C(O)C(O)=C21
Structure

Calculated Properties

Solubility (ALOGPS)
2.41e-02 g/l
LogS (ALOGPS)
-4.16
LogP (ALOGPS)
4.74
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
3
Polar Surface Area
66.76
Refractivity
98.17489999999998
Polarizability
39.28164681751308
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.009161702981391
pKa (strongest acidic)
9.464626032934891
Number of Rings
3
Rule of Five
No
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Diterpenoids
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Diterpenoids
Direct Parent Name
Diterpenoids
Alternative Parent Names
["1-hydroxy-4-unsubstituted benzenoids", "Carbonyl compounds", "Hydrocarbon derivatives", "Hydrophenanthrenes", "Methyl esters", "Monocarboxylic acids and derivatives", "Naphthalenecarboxylic acids and derivatives", "Organic oxides", "Tetralins"]
External Descriptor Annotations
Not Available
Substituent Names
["1-hydroxy-4-unsubstituted benzenoid", "1-naphthalenecarboxylic acid or derivatives", "Abietane diterpenoid", "Aromatic homopolycyclic compound", "Benzenoid", "Carbonyl group", "Carboxylic acid derivative", "Carboxylic acid ester", "Diterpenoid", "Hydrocarbon derivative", "Hydrophenanthrene", "Methyl ester", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenanthrene", "Tetralin"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.364866,0.00009103);(50.93355,0.00009307);(50.984373,0.00008732);(51.094951,0.00006171);(51.931672,0.00009838);(52.127005,0.00009903);(52.693545,0.00009261);(52.695451,0.00009664);(53.682858,0.00006481);(53.963354,0.00006126);(54.718682,0.00008178);(55.195252,0.00008901);(55.474114,0.00007919);(56.320628,0.00007736);(56.524047,0.00008868);(56.544846,0.00006013);(56.709593,0.0000707);(57.01664,0.0000886);(57.610235,0.00008876);(59.068993,0.00011774);(59.448721,0.00008671);(60.342352,0.00010532);(60.829009,0.00005647);(61.305354,0.00010468);(62.5419,0.00009414);(63.341851,0.00006704);(64.059952,0.00008753);(64.725161,0.00009833);(65.210439,0.00005925);(65.948983,0.00006233);(66.368911,0.00008795);(66.503611,0.00010263);(67.273699,0.00006595);(68.076745,0.00009889);(68.344907,0.00009026);(68.397561,0.00010261);(69.1665,0.00006169);(70.678128,0.00010013);(71.029063,0.00012077);(71.806206,0.00011193);(73.389708,0.00009434);(73.937833,0.00010359);(73.976983,0.00007442);(74.506657,0.00009909);(74.581359,0.00009105);(75.702492,0.00010095);(76.522725,0.0000766);(77.448939,0.00009593);(77.626992,0.00009531);(78.042633,0.00009975);(78.062937,0.00010077);(79.802721,0.00010244);(80.002398,0.00009572);(81.013739,0.00007643);(81.165106,0.00008809);(84.645014,0.00008795);(84.676749,0.00009183);(85.953516,0.00009365);(86.673772,0.00008668);(86.887735,0.0000572);(89.841618,0.0001085);(90.742732,0.00007552);(91.676604,0.00008347);(92.058077,0.00008244);(93.165913,0.00007046);(93.995322,0.00007232);(95.017579,0.00006261);(95.350116,0.00010391);(96.312568,0.00010139);(96.433607,0.00010687);(96.500652,0.0001005);(96.956511,0.00007435);(99.280957,0.00005597);(99.621263,0.00008736);(100.872592,0.00008675);(102.882324,0.00009354);(104.156933,0.00006611);(104.742677,0.00005894);(106.362286,0.00005495);(106.443488,0.00009885);(107.136031,0.00008476);(107.651882,0.00008951);(108.177768,0.00010173);(108.276247,0.00008644);(109.797122,0.00009485);(113.18436,0.00009479);(113.380938,0.00011051);(118.110555,0.00009691);(118.817995,0.00010288);(119.349323,0.0000824);(122.833653,0.00009875);(124.040772,0.0000813);(124.394854,0.00012361);(125.276673,0.00010554);(131.352432,0.00007027);(133.88739,0.00010477);(134.600441,0.00008045);(138.851668,0.00006817);(144.609552,0.00007035);(146.549976,0.00010792);(147.624528,0.00008701);(149.700035,0.0001028);(151.841331,0.00006632);(153.503501,0.0000675);(157.179613,0.00010371);(158.084743,0.00009689);(161.050334,0.00006769);(161.886718,0.00007495);(167.159786,0.00009523);(167.241951,0.00009189);(167.609567,0.00012314);(169.014304,0.00007908);(170.370703,0.00009194);(171.670133,0.00010604);(174.884509,0.00009838);(175.985571,0.0000961);(177.408914,0.00010483);(181.243627,0.00006726);(181.599721,0.00010207);(182.439976,0.00010321);(184.47999,0.00006491);(186.197628,0.00010114);(189.5232,0.000065);(191.479763,0.00010146);(192.219012,0.00010715);(192.504871,0.00006783);(195.847583,0.00006525);(200.467118,0.00008558);(208.25734,0.00010496);(208.464216,0.00006479);(214.617526,0.00309456);(214.626486,0.00314319);(214.637245,0.00203143);(219.973741,0.00010986);(223.231695,0.0000677);(223.584484,0.00009036);(226.020462,0.00008869);(246.599071,0.00009843);(258.162374,0.00379323);(258.526153,0.00009273);(259.167627,0.00023458);(259.206464,0.00227361);(264.453444,0.00009636);(265.413597,0.00012129);(270.328472,0.00009033);(271.170432,0.00341951);(273.429627,0.00009804);(276.164878,0.00010208);(278.041628,0.00008387);(279.652058,0.00007292);(280.762393,0.00007968);(282.314193,0.00009739);(285.185912,0.00169209);(286.165426,0.00095951);(286.193623,1.0);(287.197019,0.19197213);(288.200319,0.00871827);(292.426276,0.00009664);(294.240199,0.00012029);(298.815804,0.00010384);(299.165252,0.00052441);(300.124306,0.00009937);(301.217074,0.60485825);(302.220352,0.12303331);(303.223518,0.00641731);(304.210547,0.00055398);(311.025958,0.00008428);(315.401759,0.00009993);(318.898423,0.0000993);(345.206915,0.04809512);(346.210437,0.00985073);(350.20037,0.0001)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(51.972199,0.00018787);(53.47702,0.00013119);(53.671916,0.00015903);(54.455807,0.00015527);(54.690854,0.00015072);(54.990025,0.0001623);(55.280358,0.00017519);(55.63312,0.0001698);(55.638371,0.00016587);(56.061248,0.00016635);(56.282715,0.00014602);(57.268936,0.00016035);(57.4546,0.00017574);(58.444518,0.00017595);(58.564466,0.00012677);(59.076203,0.00016798);(59.329888,0.0002066);(59.378198,0.0001796);(59.998204,0.00015815);(60.07626,0.00017842);(60.474985,0.00017056);(61.153662,0.00013524);(61.704863,0.00011605);(62.046906,0.00010993);(63.917864,0.00015886);(64.223196,0.00011538);(64.697183,0.000171);(64.71739,0.00011516);(64.817777,0.00016005);(64.926092,0.00017712);(64.955126,0.00017509);(65.626563,0.00018854);(65.845471,0.00016079);(65.979128,0.00016009);(67.669336,0.0001779);(68.264836,0.00015335);(69.73228,0.00017225);(70.250602,0.00012124);(71.711375,0.00011723);(74.76905,0.00013626);(75.012311,0.00016593);(76.048871,0.00019037);(77.242216,0.00017639);(78.406182,0.00017047);(79.197473,0.00011102);(81.177632,0.00016237);(81.188161,0.0001466);(83.328911,0.00016317);(85.075991,0.00016506);(85.820241,0.00017348);(86.088943,0.00016466);(87.553035,0.00014184);(87.585026,0.00017071);(89.877933,0.00017358);(91.414776,0.00018205);(92.913751,0.00017396);(94.172377,0.00020144);(94.504802,0.00017045);(96.321582,0.00011837);(96.631887,0.00017142);(99.951069,0.00019308);(101.351707,0.00015125);(101.796865,0.00012211);(102.505821,0.00012388);(102.647612,0.00019797);(105.128567,0.00020458);(105.404725,0.00017104);(105.524587,0.00018696);(106.735489,0.00017832);(107.40701,0.00010899);(107.475823,0.00019305);(108.755316,0.0001902);(110.649576,0.00019139);(112.509092,0.00015461);(113.63499,0.00019139);(118.834451,0.00018223);(120.005205,0.00014124);(120.667982,0.00017655);(123.405252,0.00019963);(124.226945,0.00018703);(124.710862,0.00018185);(127.305495,0.0001624);(129.106481,0.00016894);(132.659102,0.0001909);(133.998231,0.00018505);(136.704913,0.00020407);(138.186185,0.00019873);(138.470884,0.00016805);(139.151093,0.00012603);(142.613587,0.00017596);(145.823383,0.00017821);(146.966198,0.00014714);(149.934764,0.00019444);(153.756369,0.0001871);(155.058498,0.0001806);(156.246258,0.00019245);(156.603501,0.00017352);(161.187824,0.00017314);(162.436927,0.0001974);(162.452146,0.00014535);(162.727243,0.00018109);(164.06803,0.0001818);(164.095478,0.00019155);(164.844719,0.00017917);(165.351612,0.00018097);(169.246807,0.0001164);(172.271127,0.00018363);(182.509826,0.00025541);(182.921037,0.00020595);(192.005701,0.00019846);(201.39996,0.00020029);(203.106477,0.00043126);(206.015642,0.00019757);(207.788829,0.00023135);(214.611086,0.0006625);(214.621608,0.00971075);(214.631775,0.00293812);(215.106953,0.00019225);(215.204071,0.0002088);(217.122819,0.00030292);(220.330243,0.00021437);(224.543969,0.00019874);(225.435736,0.00016832);(226.01718,0.0001907);(228.212336,0.00019182);(228.295841,0.00019287);(235.464367,0.00012505);(236.137917,0.00021785);(244.825805,0.00020794);(247.527606,0.0001532);(248.325368,0.00019997);(251.086815,0.00019868);(251.11476,0.0001851);(252.798047,0.00021957);(252.914665,0.00018074);(257.155235,0.00015418);(257.591356,0.00019275);(258.1623,0.00122462);(263.69301,0.00012629);(265.369981,0.00020407);(266.903845,0.00018414);(267.898402,0.000237);(270.299766,0.00019157);(271.170242,0.01448313);(272.172875,0.00131588);(274.338619,0.00019308);(285.18593,0.00925498);(286.193467,1.0);(287.196856,0.18782678);(288.199799,0.00936908);(289.74614,0.00023665);(300.16332,0.00018573);(301.217047,0.09420712);(302.220241,0.01972978);(304.208726,0.0011407);(307.204414,0.00013942);(314.982342,0.00017243);(316.188919,0.00014281);(317.815974,0.00018706);(319.235309,0.00014281);(320.33811,0.00023007);(320.704075,0.00025832);(342.398664,0.00021467)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.33952,0.00065579);(50.828152,0.00088085);(51.768111,0.00089975);(52.342036,0.00086722);(52.40442,0.00089852);(52.409257,0.00081397);(52.486772,0.00080912);(53.322936,0.00086626);(54.189947,0.00100307);(54.344687,0.00065173);(54.43127,0.00082443);(54.917423,0.00092458);(54.929874,0.00097116);(55.375984,0.00055985);(55.903933,0.00084705);(57.884153,0.00065547);(57.892518,0.00083341);(57.957299,0.0007527);(58.02443,0.00073771);(58.995142,0.00081183);(59.491831,0.00071464);(60.029812,0.00082742);(60.327767,0.00091023);(60.440641,0.00053897);(60.625359,0.00079131);(61.026212,0.00060619);(62.230515,0.00079777);(62.512776,0.00069263);(62.751375,0.00090878);(62.901559,0.0008348);(64.548879,0.00079172);(64.639198,0.00085695);(64.905447,0.00090647);(66.167896,0.00080006);(67.220846,0.00093133);(67.656199,0.00077769);(69.542488,0.00091209);(69.743256,0.00060713);(70.060335,0.00086141);(70.29668,0.00095895);(72.342624,0.00089902);(72.387449,0.00094867);(72.494634,0.00097739);(72.691989,0.00077076);(72.75785,0.00097422);(74.538111,0.00081959);(75.376378,0.00082363);(76.324371,0.00094542);(79.925924,0.00081494);(80.620964,0.00056546);(82.254482,0.00085839);(82.809804,0.00072214);(83.237047,0.00085769);(83.709264,0.00082118);(85.614057,0.00087529);(86.46008,0.00081125);(87.563933,0.00079289);(87.793234,0.00096371);(92.545754,0.00080585);(92.652356,0.00066302);(93.536418,0.0009922);(94.21018,0.00082621);(95.600369,0.0005602);(95.976352,0.00084245);(96.212079,0.00097704);(97.553963,0.00088028);(103.110416,0.00088301);(105.741403,0.00104512);(108.83137,0.00079503);(109.815646,0.00098288);(111.312456,0.00089867);(114.564585,0.00064492);(119.31309,0.00087134);(119.600605,0.00064053);(119.763647,0.00078396);(121.52518,0.00068384);(127.674232,0.00069396);(129.918628,0.00099322);(130.751579,0.00067055);(132.99977,0.00090164);(136.804571,0.00084336);(136.962753,0.0008774);(137.045717,0.00080202);(139.650964,0.00082093);(141.9286,0.00085836);(142.623905,0.00083504);(143.906109,0.00081714);(148.454604,0.000923);(154.704987,0.0008935);(157.166794,0.00086166);(159.507075,0.00088655);(159.572858,0.00068213);(172.005092,0.0007803);(173.065891,0.00078712);(173.129254,0.00082388);(173.683376,0.00086401);(174.636163,0.00083244);(180.5443,0.0008155);(181.16326,0.00088324);(183.889394,0.00098441);(189.091406,0.0130133);(189.368278,0.0009702);(190.09921,0.00995396);(194.334347,0.00104255);(200.050353,0.00072636);(200.384837,0.00091629);(201.091278,0.016348);(203.097318,0.00103023);(203.106885,0.0657707);(206.173666,0.00111817);(206.33601,0.00085489);(215.107091,0.12800311);(216.111677,0.00685015);(217.122858,0.02129435);(219.75621,0.00512938);(219.768516,0.01212158);(228.734194,0.00097316);(229.122944,0.05785975);(230.127708,0.00192092);(231.13835,0.00733004);(233.361731,0.00071221);(242.20643,0.0006587);(243.138612,0.02421201);(243.161064,0.00058148);(247.102646,0.00098941);(250.801092,0.00096687);(252.360282,0.00077637);(257.154271,0.06085871);(258.159545,0.00361604);(259.42767,0.00080914);(260.121495,0.00099026);(260.398438,0.00086587);(268.743252,0.00086082);(271.170168,0.5226971);(272.173736,0.0986948);(273.14411,0.00086783);(273.176184,0.00187235);(273.45469,0.00095209);(274.713338,0.00096397);(274.923012,0.00072912);(276.402387,0.0009442);(285.185775,0.33400588);(286.193451,1.0);(287.196879,0.18762682);(292.457717,0.00103055);(301.302993,0.00093243);(301.788608,0.00085479);(322.776864,0.00098972);(323.506304,0.00089854);(325.1187,0.00084119);(328.835421,0.00093433);(328.921387,0.00060079);(332.414364,0.0010146);(333.177439,0.00090684);(336.144341,0.00092207);(336.497129,0.00089992);(341.116432,0.00074488);(345.967967,0.00097139);(347.186353,0.00096963)
LC-MS/MSLC-ESI-QFTPositivemediumView 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LC-MS/MSLC-ESI-QFTPositivehighView 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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.097777,0.00140695);(50.151298,0.00217015);(50.374997,0.00100679);(50.967897,0.00141945);(51.263589,0.00132297);(51.30285,0.00201699);(51.365041,0.00083514);(51.445023,0.00077104);(51.809487,0.00074959);(51.940335,0.01556119);(52.124879,0.00138754);(52.548047,0.00095398);(52.564414,0.00165544);(52.772439,0.00194742);(53.002578,0.01796286);(54.801702,0.00151874);(55.01817,0.01601147);(55.054593,0.35831569);(55.76081,0.0009049);(55.825504,0.0015181);(56.057894,0.00730228);(56.563027,0.00166963);(56.72304,0.00089466);(57.070216,0.02775985);(57.217769,0.00164606);(57.441067,0.001307);(57.533253,0.00171113);(57.831234,0.00131798);(57.995708,0.00093442);(58.548185,0.0009906);(59.049442,0.0073468);(59.180233,0.00174805);(59.724201,0.00227119);(60.791551,0.0013796);(61.11895,0.00220141);(63.241148,0.00083536);(63.751247,0.00123437);(65.038849,0.00167185);(65.495192,0.00152378);(66.150852,0.00171514);(66.389809,0.00172221);(67.054421,0.11676884);(68.740879,0.00160387);(68.819463,0.00140561);(68.942848,0.03522073);(69.033684,0.00607257);(69.070035,0.6354731);(69.15073,0.00139125);(69.677509,0.00221036);(70.073388,0.02705048);(70.245422,0.00233307);(71.026742,0.00156221);(71.049284,0.00348325);(71.085645,0.00103454);(71.703183,0.00193383);(72.784271,0.00140231);(72.937225,0.0050268);(73.037545,0.00218047);(73.064992,0.00855757);(76.608432,0.0018039);(77.561599,0.00122557);(77.759975,0.00118998);(79.021305,0.00096521);(79.0543,0.09107289);(80.248455,0.00139823);(80.328383,0.00190704);(81.069994,0.13546917);(82.701294,0.00212377);(83.049214,0.01086451);(83.085629,0.11769197);(83.700142,0.00146895);(84.937551,0.00133468);(85.064859,0.00160732);(85.224656,0.00137989);(89.303269,0.00129418);(89.360008,0.0016419);(90.5079,0.0017531);(90.785016,0.00153287);(91.054341,0.12722674);(92.571649,0.00090102);(93.069989,0.10001765);(93.680436,0.00182499);(94.374591,0.00157015);(95.049247,0.02178295);(95.085598,0.13144621);(95.457506,0.00175421);(96.088905,0.00238629);(96.570891,0.0039547);(97.064774,0.00423118);(97.101251,0.02507402);(102.948364,0.00173797);(103.054359,0.47775676);(104.057662,0.03246102);(105.069991,0.12545547);(106.073815,0.00221928);(107.049396,0.01724341);(107.085586,0.0968951);(107.233002,0.00134856);(107.771031,0.00185851);(108.366899,0.00206911);(108.667295,0.00136382);(108.938558,0.00127929);(109.064955,0.02039523);(109.101222,0.04746406);(111.043986,0.00215486);(111.063175,0.00145663);(111.253193,0.00134851);(111.701854,0.00233522);(112.363312,0.00102327);(113.059827,0.00119267);(113.259465,0.00148157);(113.822878,0.0013292);(115.054401,0.09321129);(116.963831,0.01893259);(117.069987,0.29848196);(118.073217,0.01832149);(118.60142,0.00141515);(118.625639,0.0013421);(118.77764,0.00152327);(118.943042,0.0045229);(119.049358,0.01041216);(119.085704,0.11830778);(119.089963,0.00249889);(120.08904,0.00454628);(120.79485,0.0012608);(121.064977,0.01599726);(121.10122,0.02220513);(122.339284,0.00189073);(123.080404,0.00465938);(123.117172,0.00203609);(124.080764,0.00230947);(124.601428,0.00156295);(124.921701,0.00189652);(125.869333,0.00126915);(127.094562,0.00257052);(128.062239,0.09834673);(128.963893,0.04574486);(129.065245,0.01495801);(129.069994,0.46377372);(129.300543,0.00082937);(130.04168,0.00617403);(130.07322,0.04037636);(130.077979,0.00332905);(130.979428,0.01844555);(131.049295,0.78636307);(131.08565,0.11187476);(132.05249,0.07477541);(133.064914,0.07203199);(133.101186,0.03920959);(134.974825,0.00235604);(134.978884,0.00102749);(135.080481,0.03601607);(137.059909,0.14755673);(137.299064,0.0016341);(138.063118,0.00276429);(138.261995,0.00218668);(138.444319,0.00094802);(139.121084,0.00228981);(141.070107,0.08817812);(141.643944,0.00153606);(142.07802,0.1179259);(142.208489,0.00149185);(142.312133,0.00193508);(142.320649,0.00155243);(143.049373,0.16494233);(143.085792,0.2498148);(144.052086,0.00161611);(144.057256,0.02520081);(144.088701,0.01088402);(144.094309,0.00133998);(145.064964,0.5495337);(145.101319,0.13038834);(146.068136,0.05134258);(146.104748,0.00569343);(146.974574,0.15793314);(147.044229,0.04777659);(147.080596,0.03540665);(147.116832,0.00662145);(147.974336,0.00338436);(148.052049,0.79596765);(148.612317,0.0019977);(149.055208,0.06766262);(149.060965,0.00637341);(149.096387,0.00912424);(149.40652,0.00080186);(150.05881,0.00173796);(151.075493,0.04996071);(153.007023,0.00175395);(153.054783,0.00769944);(153.070117,0.04793788);(154.077809,0.01261336);(154.587227,0.00152759);(155.060568,0.0118885);(155.085754,0.09912267);(156.056972,0.00146909);(156.093607,0.07006972);(157.06493,0.5950653);(157.101502,0.27192619);(158.06789,0.04887989);(158.073683,0.0089873);(158.10451,0.01137549);(159.044438,0.0032544);(159.080651,0.13560636);(159.116995,0.04563629);(160.052073,0.02343338);(160.083536,0.00216144);(161.059885,0.12471783);(161.096246,0.03329833);(162.06788,0.35509073);(162.099591,0.0018568);(163.075576,0.87629128);(164.078894,0.0938353);(164.824039,0.00219524);(165.055034,0.00075507);(165.070125,0.03625883);(165.091232,0.02850005);(166.078099,0.00559378);(166.246619,0.00090364);(166.639224,0.00135365);(167.085673,0.05577991);(168.60782,0.00101408);(169.064885,0.05586535);(169.101573,0.09323529);(169.427891,0.00217472);(170.072929,0.04545188);(170.104728,0.00091154);(170.109448,0.00160143);(171.044416,0.01022658);(171.080531,0.28583696);(171.116887,0.12195798);(172.052063,0.00412751);(172.083673,0.00686638);(172.088888,0.00511201);(172.119784,0.00100278);(172.483091,0.00085099);(173.059855,0.0742925);(173.096311,0.10819439);(174.067929,0.25093497);(174.099099,0.00186325);(175.075962,0.19853051);(175.111868,0.02469162);(175.721755,0.00206913);(176.083731,0.20531482);(177.054896,0.00207211);(177.091346,0.44882136);(178.094521,0.03482149);(179.085621,0.01121682);(179.099093,0.00255547);(179.106686,0.10923535);(180.078202,0.00375086);(180.093055,0.00216109);(180.109931,0.00174462);(180.304885,0.00169641);(180.908108,0.00236383);(181.064746,0.00761902);(181.076737,0.00155787);(181.101304,0.04374277);(182.073213,0.00226225);(182.10949,0.00136984);(182.473835,0.0018617);(183.080667,0.13288293);(183.117044,0.02414079);(183.927058,0.00098081);(184.088436,0.05094301);(185.059825,0.01942965);(185.096461,0.29784513);(185.13263,0.0316177);(186.06747,0.00220153);(186.099558,0.02102381);(187.075709,0.12524742);(187.111748,0.06824385);(188.083657,0.29064015);(188.142726,0.0015004);(189.054852,0.04570778);(189.091248,0.73496455);(190.094492,0.07389139);(190.130042,0.00100352);(191.106529,0.02632597);(191.881087,0.002628);(193.086277,0.00226884);(193.101318,0.0116624);(193.122409,0.04422454);(193.855045,0.00149619);(195.080935,0.00461514);(195.101665,0.04554051);(195.116897,0.03289964);(196.087633,0.00394296);(196.10465,0.00404863);(197.060185,0.00217067);(197.096544,0.10825597);(197.105485,0.0021175);(197.132898,0.01393608);(197.169052,0.00135131);(198.067069,0.0016726);(198.103714,0.06509525);(199.075444,0.06652401);(199.112086,0.23758661);(199.148009,0.02012312);(200.115299,0.0231409);(201.091187,0.29784001);(201.127594,0.01133722);(201.894466,0.00190204);(202.098696,0.07303369);(202.717785,0.00154829);(203.070308,0.01606842);(203.107008,0.22698003);(203.143147,0.01578729);(204.111326,0.01268191);(205.086299,0.00700947);(205.122498,0.69988755);(205.266288,0.00169003);(206.125972,0.10210952);(208.883363,0.00363373);(209.096212,0.01749943);(209.891425,0.00685082);(210.074003,0.00185195);(210.099839,0.00152936);(211.111866,0.05791361);(212.083949,0.00196325);(212.117247,0.00132801);(213.091264,0.02859022);(213.127541,0.08203212);(214.098888,0.05944516);(214.130767,0.0037944);(215.070043,0.0020227);(215.106986,0.14383284);(216.078125,0.01929009);(216.114906,0.23750622);(217.085948,0.00213921);(217.122822,0.15816774);(218.126653,0.00665649);(219.138261,0.24932993);(219.174741,0.00217792);(219.752393,0.01676054);(219.757676,0.01421818);(219.773766,0.00188831);(220.141405,0.02201897);(220.90371,0.00425556);(223.112139,0.00416505);(225.091199,0.00175921);(225.127537,0.03558867);(226.132752,0.00794586);(226.289752,0.00158039);(226.947275,0.00109167);(227.107075,0.02728246);(227.143,0.04857352);(227.155124,0.00201837);(227.178877,0.00250698);(228.113455,0.00319002);(229.086292,0.00103811);(229.122533,0.43189517);(230.126371,0.08890525);(231.102115,0.16336845);(231.138297,1.0);(232.105572,0.00590554);(232.141692,0.15910222);(233.891382,0.01179695);(234.899362,0.00135848);(235.112092,0.00245768);(238.914057,0.0011255);(240.150556,0.00223484);(240.909616,0.00169252);(241.085573,0.00731449);(241.122568,0.02770728);(242.129139,0.01281663);(243.101682,0.02291997);(243.137979,0.0356275);(244.146082,0.20674393);(244.197181,0.00087429);(245.080622,0.00424787);(245.117651,0.00687315);(245.153026,0.06282322);(248.876813,0.00113531);(250.894175,0.00745084);(253.145108,0.00199289);(255.101779,0.00457932);(255.137856,0.00243918);(255.174701,0.02609801);(257.117497,0.0029426);(257.153718,0.03074103);(259.132881,0.00863386);(259.169881,0.00268245);(263.63759,0.00099152);(269.117607,0.00287673);(270.162542,0.00202843);(271.170793,0.00143994);(272.102104,0.00133234);(275.901178,0.00101205);(277.781493,0.00187926);(280.362407,0.002239);(280.813113,0.00394106);(285.184856,0.03204689);(287.322393,0.00125892);(288.986757,0.00097692);(306.960375,0.00235004);(308.55992,0.001675);(311.461932,0.00138806);(315.825038,0.00167691);(317.6438,0.00086741);(319.010711,0.00240408)

Food Sources

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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