PhytoHub: Showing entry for Linamarin

Linamarin

Identification

PhytoHub ID

PHUB001450

Name

Linamarin

Systematic Name

Not Available

Synonyms

Manihotoxin
Phaseolunatin

CAS Number

554-35-8

Average Mass

247.247

Monoisotopic Mass

247.105587271

Chemical Formula

C₁₀H₁₇NO₆

IUPAC Name

2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile

InChI Key

QLTCHMYAEJEXBT-ZEBDFXRSSA-N

InChI Identifier

InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1

SMILES

[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC(C)(C)C#N)[C@]1([H])O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.68e+01 g/l
LogS (ALOGPS): -0.57
LogP (ALOGPS): -1.15
Hydrogen Acceptors: 7
Hydrogen Donors: 4
Rotatable Bond Count: 3
Polar Surface Area: 123.17000000000002
Refractivity: 54.9457
Polarizability: 23.33131733076306
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.9810842497378927
pKa (strongest acidic): 12.208435937637256
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

FooDB (Foods): FDB011809
ChEBI: CHEBI:16441
PeakForestCompound: 000886

Taxonomy as Food Phytochemical

Family: Miscellaneous phytochemicals
Class: Not Available
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Organooxygen compounds
Super-class: Organic oxygen compounds
Sub-class: Carbohydrates and carbohydrate conjugates
Direct Parent Name: Cyanogenic glycosides
Alternative Parent Names: ["Acetals", "Hexoses", "Hydrocarbon derivatives", "Nitriles", "O-glycosyl compounds", "Organopnictogen compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols"]
External Descriptor Annotations: ["Cyanogenic glucosides derived from valine or isoleucine", "beta-D-glucoside"]
Substituent Names: ["Acetal", "Alcohol", "Aliphatic heteromonocyclic compound", "Carbonitrile", "Cyanogenic glycoside", "Hexose monosaccharide", "Hydrocarbon derivative", "Monosaccharide", "Nitrile", "O-glycosyl compound", "Organic nitrogen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organopnictogen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(31.01783932,4.496782088);(43.01783932,2.293146258);(44.02566392,1.474682252);(56.99710422,2.920769979);(59.01275342,11.89114784);(60.02057802,4.453668027);(68.04947222,2.97116038);(72.02057802,1.274131384);(73.02840262,4.579343225);(74.03622722,2.715681257);(84.04438632,1.530030138);(89.02331672,5.865808442);(90.03114132,1.495901992);(91.03896592,1.470603667);(102.0311413,2.145443399);(103.0389659,4.474989057);(104.0467905,1.467872714);(126.0549496,1.563605101);(127.0627742,1.275538284);(134.0573538,2.888638048);(143.0576883,1.647252687);(156.0655129,1.812230091);(157.0733375,2.044003203);(163.0600925,5.760515224);(186.0760762,3.883613153);(187.0839008,2.276870345);(216.0866395,5.347155058);(217.0944641,2.289024463);(229.0944641,5.163090763);(230.1022887,5.19088867);(232.0815536,1.336412811)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(67.04164762,0.8892143986);(68.04947222,2.283496903);(69.05729682,0.7926599073);(73.04679982,2.821078899);(89.04171392,1.210048508);(103.0573631,3.922038415);(131.0522772,0.7377642004);(203.091801,0.7229576174);(204.0996256,0.7054510802);(217.1074502,2.080189888);(218.1152748,0.8094354379);(233.1023643,0.9402909145);(301.1523851,0.6974671263);(305.1418881,0.969180456);(319.1575373,0.8726977097);(320.1653619,0.9951944256);(335.1524514,0.6958607428);(422.215449,0.7887156709);(432.2052109,1.692958555);(445.2130355,1.03673122);(446.2208601,2.443593207);(447.2226751,0.9191310782);(451.2181877,1.401673835);(462.2157742,1.353587595);(463.2235988,1.079309562);(464.2314234,0.669527876);(509.2600494,0.6896689096);(520.2396488,12.12889792);(521.2412987,5.463296004);(522.2394748,2.931401677);(523.2401247,0.8705161127)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(31.01783932,1.829942897);(43.01783932,1.763061656);(44.02566392,1.048243633);(56.99710422,1.723727647);(59.01275342,6.466839406);(60.02057802,0.8393937257);(67.04164762,0.8052720705);(68.04947222,1.33742938);(72.02057802,0.9056867063);(73.02840262,4.612014122);(74.03622722,1.935127467);(89.02331672,3.400727078);(102.0311413,0.8603685704);(104.0467905,0.832822881);(120.0417046,1.086543013);(126.0549496,0.9089876622);(134.0573538,1.636713481);(142.0498637,0.8300478799);(155.0576883,0.8085263338);(156.0655129,1.292918938);(157.0733375,1.45293221);(163.0600925,3.401694622);(173.0682516,0.7873352294);(186.0760762,2.760576223);(187.0839008,1.618460411);(216.0866395,3.277242007);(217.0944641,1.394566675);(221.1019542,1.013083389);(229.0944641,3.313980327);(230.1022887,3.4420733);(232.0815536,0.9499580124)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(31.01783932,1.829942897);(43.01783932,1.763061656);(44.02566392,1.048243633);(56.99710422,1.723727647);(59.01275342,6.466839406);(60.02057802,0.8393937257);(67.04164762,0.8052720705);(68.04947222,1.33742938);(72.02057802,0.9056867063);(73.02840262,4.612014122);(74.03622722,1.935127467);(89.02331672,3.400727078);(102.0311413,0.8603685704);(104.0467905,0.832822881);(120.0417046,1.086543013);(126.0549496,0.9089876622);(134.0573538,1.636713481);(142.0498637,0.8300478799);(155.0576883,0.8085263338);(156.0655129,1.292918938);(157.0733375,1.45293221);(163.0600925,3.401694622);(173.0682516,0.7873352294);(186.0760762,2.760576223);(187.0839008,1.618460411);(216.0866395,3.277242007);(217.0944641,1.394566675);(221.1019542,1.013083389);(229.0944641,3.313980327);(230.1022887,3.4420733);(232.0815536,0.9499580124)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(95.041869,0.034294);(97.083335,0.052644);(103.017633,0.043219);(108.855567,0.069401);(113.000002,0.029305);(113.416668,0.036854);(126.166669,0.033503);(130.944665,0.029046);(133.000002,0.041991);(134.184903,0.105361);(136.000002,0.055713);(139.333336,0.032989);(151.541114,0.255759);(151.833336,0.467053);(152.16667,0.210827);(152.750003,0.04123);(153.043025,0.13018);(155.418555,0.052763);(155.750003,0.064348);(156.105568,0.383307);(156.500003,0.034311);(161.16667,0.034162);(164.101366,0.034228);(165.500003,0.030459);(165.858481,0.41107);(167.038419,0.349588);(167.958084,0.681645);(168.985521,5.315515);(169.500003,0.053505);(170.187943,0.053307);(175.16667,0.059359);(175.41667,0.037758);(178.91667,0.036683);(179.912663,0.745416);(181.002467,0.045685);(181.500004,0.07434);(181.968203,0.732565);(182.96601,0.409137);(183.41667,0.043738);(183.750004,0.032661);(184.000004,0.106559);(185.000004,0.089441);(185.583337,0.112167);(185.916671,0.100697);(187.937921,0.033131);(189.250004,0.065629);(198.108889,0.193977);(199.833338,0.168209);(201.166671,0.064944);(201.958363,0.11015);(202.250004,0.068044);(203.083338,0.115666);(203.199309,0.182367);(206.083338,0.068147);(214.083338,0.063994);(214.856874,0.078887);(216.000005,1.134051);(216.583338,0.031609);(216.916671,0.058554);(218.333338,0.031678);(219.105463,0.078711);(219.333338,0.033839);(219.513074,0.074261);(223.916672,0.120792);(227.833338,0.097086);(228.083338,0.077657);(230.833339,0.11266);(231.905865,1.531863);(245.996836,0.683306);(246.416672,0.032237);(246.938777,0.95225);(255.94133,0.033628)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(64.533486,0.041203);(73.083334,0.092026);(86.416668,0.032967);(97.083335,0.117483);(106.029569,0.02489);(108.083335,0.027263);(109.027815,0.043048);(113.083335,0.035947);(113.750002,0.027521);(122.107633,0.079829);(126.166204,0.075754);(143.000003,0.036551);(144.000003,0.045713);(149.083336,0.031927);(151.971019,0.6981);(153.000003,0.280792);(153.250003,0.085352);(153.917564,0.036589);(154.781227,0.029133);(155.91667,0.284608);(156.250003,0.290772);(157.250003,0.092545);(161.250003,0.10281);(163.750003,0.052527);(165.750003,0.130855);(166.000003,0.06655);(167.031714,0.208969);(167.907784,0.557737);(168.333337,0.042889);(168.96971,4.906351);(175.691155,0.0506);(177.116519,0.083672);(179.333337,0.068029);(179.995859,0.379876);(181.41667,0.103084);(181.992108,0.568663);(182.583337,0.065986);(183.048193,0.177773);(185.885958,0.129631);(188.083337,0.176692);(188.612172,0.057868);(189.916671,0.048554);(198.116569,0.084287);(199.933394,0.058131);(201.357676,0.119459);(201.882063,0.088325);(202.750004,0.050947);(203.166671,0.142783);(205.083338,0.040111);(213.916671,0.075555);(214.000899,0.075555);(215.939281,1.179676);(217.089803,0.196931);(218.500005,0.030737);(218.833338,0.03133);(219.000005,0.041549);(219.250005,0.098013);(219.250005,0.098013);(227.333338,0.112155);(227.666672,0.029753);(227.916672,0.425609);(228.787153,0.055699);(229.083339,0.046764);(230.416672,0.056094);(231.083339,0.073492);(231.883964,1.436765);(245.416672,0.110102);(245.982427,0.797029);(246.333339,0.267378);(246.992611,0.843823)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(85.195441,6.451941);(86.164232,1.324209);(103.18985,100.0);(109.143298,0.631965);(110.137639,2.436985);(127.125276,0.963972);(128.120039,2.39559);(144.128861,0.518833);(145.102709,2.644977);(151.132813,0.522459);(162.128453,1.052824);(162.975639,1.749972);(169.124694,0.603567);(175.149261,0.656387);(180.114603,5.194737);(193.142167,2.30586);(211.151564,2.151745);(212.106223,0.556054);(229.158829,0.782706);(247.177848,3.184473);(248.158938,7.414818)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(85.197912,6.361536);(86.178326,1.221921);(103.176336,100.0);(109.144038,0.60707);(110.131587,2.28691);(127.120428,1.022821);(128.1281,2.423393);(144.104887,0.500659);(145.087383,2.424513);(162.134362,1.073274);(162.978936,1.675544);(169.12968,0.569586);(175.147324,0.610875);(180.110594,4.924429);(193.155416,2.277112);(211.149024,2.13633);(212.112235,0.612266);(229.159564,0.77147);(247.183317,3.076481);(248.160895,7.102811)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(185.087935,34.236909);(192.005061,4.942944);(212.076961,3.229022);(231.204138,0.811801);(243.123238,100.0);(252.021386,0.933072)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(185.073591,33.16914);(191.990749,4.132503);(212.075677,2.934674);(226.005492,0.5638);(243.133139,100.0);(251.916672,0.694247);(252.166672,0.699686)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(28.01872406,0.2805342951);(43.01838972,0.7087650426);(45.03403978,0.2770400839);(68.05002419,21.49292794);(70.02928875,0.2324969466);(70.06567426,1.135787247);(71.01330434,0.2477963343);(72.08132432,0.3952141369);(73.0289544,0.6493143564);(74.09697438,0.6839906308);(85.0289544,0.3410316579);(86.06058888,32.22184484);(90.091889,0.4010359806);(103.0395191,0.8348348147);(105.0551691,0.2438225872);(114.0555035,0.209762538);(133.0500838,0.4398935706);(135.0657338,0.1985470556);(145.0500838,0.6072526959);(156.0660682,0.2399732594);(158.0817182,0.1931573737);(161.0449984,0.3027965209);(163.0606485,2.941029328);(181.0712131,0.8563254107);(186.0766329,0.3361708296);(188.0922829,0.2320228896);(212.0922829,0.9979245882);(213.0762985,1.035277536);(230.1028476,10.67703113);(231.0868632,2.291501749);(248.1134123,18.29489664)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(28.01872406,2.373698873);(41.03912516,2.584266941);(43.01838972,1.389766083);(45.03403978,0.6851442633);(47.04968984,0.1631876031);(52.01872406,0.749545882);(55.01838972,0.2396475976);(59.04968984,0.7328594331);(68.05002419,44.4428786);(70.02928875,0.3515958627);(70.06567426,1.050515736);(73.0289544,0.3558921433);(75.04460446,0.1886056334);(86.06058888,30.93552959);(90.091889,0.1386357663);(103.0395191,0.1668602026);(126.0555035,0.1800548295);(143.0344337,0.1476528863);(145.0500838,2.271273584);(161.0449984,0.2072276665);(163.0606485,2.766716346);(181.0712131,0.2143228217);(186.0766329,0.2540348458);(188.0922829,0.2060311487);(212.0922829,0.460501681);(213.0762985,1.669207259);(217.0712131,0.1473670703);(218.1028476,0.2665699314);(230.1028476,1.762995591);(231.0868632,1.705744075);(248.1134123,1.191670054)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.4892720495);(43.01838972,4.766806903);(45.03403978,1.658145733);(52.01872406,3.480124956);(54.03437413,0.9950488054);(55.01838972,0.7430708298);(56.99765427,0.5282580334);(57.03403978,0.6346040319);(57.07042529,0.602368105);(59.01330434,0.8060048327);(59.04968984,1.201558313);(68.05002419,43.3838581);(70.02928875,4.025686894);(70.06567426,2.064449993);(71.01330434,1.087681248);(72.08132432,1.849296031);(73.0289544,1.070270688);(74.09697438,0.5537530978);(86.06058888,17.99937753);(87.00821896,2.226372964);(89.02386902,0.9113466334);(91.03951908,0.5766345589);(101.023869,0.9307785908);(103.0395191,1.273079857);(121.0500838,0.5969501179);(141.0187836,0.5731629832);(143.0344337,0.6432155085);(145.0500838,2.403011885);(160.0973683,0.4692255258);(163.0606485,0.8303492399);(188.0922829,0.6262359668)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(26.003074,0.8267578901);(43.01838972,0.665315554);(45.03403978,0.3856656);(56.99765427,1.723098897);(57.03403978,0.6143014127);(59.01330434,0.8861733023);(66.03437413,15.65510205);(68.01363868,1.448022141);(68.05002419,0.8236116691);(70.06567426,0.3555514487);(71.01330434,0.432097951);(73.0289544,1.109225189);(84.04493881,20.47036211);(85.0289544,0.5776346046);(87.00821896,1.506816801);(89.02386902,2.050091458);(103.0395191,2.469265833);(108.0449388,0.3942749445);(119.0344337,0.4277411275);(126.0555035,1.405875794);(133.0500838,1.78737028);(142.0504181,0.7800983097);(156.0660682,0.6549024275);(161.0449984,2.352276842);(177.039913,1.032249209);(179.0555631,4.135438406);(186.0766329,0.3780782132);(216.0871975,1.254859598);(228.0871975,5.408743221);(229.0712131,0.4674997813);(246.0977622,27.52149794)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,0.5697481099);(43.01838972,2.725817438);(45.03403978,1.007495344);(57.03403978,4.406612255);(59.01330434,1.560158428);(66.03437413,2.07849667);(68.01363868,1.165916648);(71.01330434,0.7085123737);(73.0289544,3.085735584);(84.04493881,52.89391076);(89.02386902,0.6220173257);(98.06058888,0.4644113005);(101.023869,0.7672997422);(103.0395191,1.429176958);(110.0605889,0.6527446987);(126.0555035,1.672015697);(131.0344337,0.886834785);(133.0500838,1.225947219);(142.0504181,1.327819662);(154.0504181,0.664569064);(156.0660682,0.901432393);(161.0449984,2.204668512);(179.0555631,0.8025489295);(186.0766329,0.7236386146);(198.0766329,0.7249428733);(214.0715475,0.6414432883);(216.0871975,1.691561623);(219.0868632,0.4583873099);(228.0871975,5.61152367);(229.0712131,0.5368201859);(246.0977622,5.787792534)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(26.003074,1.027548916);(41.00273965,2.248309541);(43.01838972,6.749757514);(45.03403978,1.731904287);(50.003074,0.4610934765);(52.01872406,0.817767313);(54.03437413,0.3710453067);(55.01838972,0.4817480712);(56.99765427,0.8179374629);(57.03403978,5.255193648);(59.01330434,3.389026179);(66.03437413,6.194272936);(68.01363868,22.46589862);(68.05002419,2.869679466);(70.06567426,0.5320397912);(71.01330434,1.59557571);(73.0289544,1.713778446);(75.04460446,0.3433246845);(84.04493881,34.04931679);(86.06058888,0.3450480449);(88.07623894,0.3311125898);(89.02386902,1.072782754);(91.03951908,0.3811247252);(101.023869,0.3290966016);(103.0395191,0.6808315311);(112.0398534,0.2881309453);(124.0398534,0.6898739758);(131.0344337,0.9711476212);(147.0293483,0.6003138318);(154.0504181,0.4013621553);(161.0449984,0.7939570677)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(66.03492,2.43);(105.01933,2.69);(135.0299,1.94);(142.05097,2.2);(161.04555,1.85);(161.04555,1.85);(161.04555,1.85);(161.04555,1.85);(161.04555,1.85);(161.04555,1.85);(172.06153,8.03);(179.05611,7.12);(179.05611,7.12);(179.05611,7.12);(179.05611,7.12);(179.05611,7.12);(202.0721,2.18);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(228.08775,2.16);(246.09831,100.0);(246.09831,100.0);(246.09831,100.0);(246.09831,100.0);(246.09831,100.0);(246.09831,100.0);(246.09831,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(43.01894,6.67);(44.9982,6.15);(55.01894,6.68);(59.01385,36.58);(66.03492,100.0);(68.05057,29.64);(73.0295,12.66);(73.0295,12.66);(75.00877,12.91);(84.04549,15.75);(87.00877,6.76);(87.00877,6.76);(89.02442,29.14);(89.02442,29.14);(103.04007,7.32);(103.04007,7.32);(105.01933,14.41);(112.0404,6.32);(119.03498,7.33);(119.03498,7.33);(139.00368,15.54);(139.00368,15.54);(139.00368,15.54);(139.00368,15.54);(154.9986,7.03);(154.9986,7.03);(157.01425,9.56);(157.01425,9.56);(157.01425,9.56);(157.01425,9.56);(157.01425,9.56);(157.01425,9.56);(157.01425,9.56);(161.04555,10.63);(161.04555,10.63);(161.04555,10.63);(161.04555,10.63);(161.04555,10.63);(161.04555,10.63);(172.06153,14.88);(173.00916,11.05);(173.00916,11.05);(173.00916,11.05);(173.00916,11.05);(173.00916,11.05);(174.07718,6.22);(179.05611,9.86);(179.05611,9.86);(179.05611,9.86);(179.05611,9.86);(179.05611,9.86);(186.07718,13.47);(186.07718,13.47);(186.07718,13.47);(188.09283,6.57);(188.09283,6.57);(188.09283,6.57);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(228.08775,19.2);(246.09831,75.95);(246.09831,75.95);(246.09831,75.95);(246.09831,75.95);(246.09831,75.95);(246.09831,75.95);(246.09831,75.95)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(43.01894,12.1);(44.9982,11.29);(55.01894,19.8);(57.03459,12.17);(57.03459,12.17);(59.01385,91.57);(61.0295,12.95);(66.03492,46.5);(68.01419,13.36);(68.05057,27.21);(73.0295,26.24);(73.0295,26.24);(75.00877,7.46);(84.04549,100.0);(87.00877,11.47);(87.00877,11.47);(89.02442,36.39);(89.02442,36.39);(101.02442,10.7);(101.02442,10.7);(101.02442,10.7);(103.04007,10.21);(103.04007,10.21);(105.05572,10.31)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(68.04948,9.0);(70.06513,2.83);(73.02841,3.32);(73.02841,3.32);(73.02841,3.32);(75.04406,3.39);(75.04406,3.39);(75.04406,3.39);(89.02332,3.87);(89.02332,3.87);(91.03897,5.64);(100.07569,3.93);(131.03389,6.32);(131.03389,6.32);(131.03389,6.32);(133.04954,8.89);(133.04954,8.89);(133.04954,8.89);(133.04954,8.89);(141.01824,3.14);(145.04954,59.13);(145.04954,59.13);(145.04954,59.13);(145.04954,59.13);(145.04954,59.13);(147.0288,5.74);(149.04445,4.37);(151.0601,5.71);(151.0601,5.71);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(163.0601,33.82);(181.07066,7.81);(181.07066,7.81);(181.07066,7.81);(181.07066,7.81);(181.07066,7.81);(181.07066,7.81);(181.07066,7.81);(188.09173,3.1);(188.09173,3.1);(188.09173,3.1);(188.09173,3.1);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(230.1023,16.46);(248.11286,100.0);(248.11286,100.0);(248.11286,100.0);(248.11286,100.0);(248.11286,100.0);(248.11286,100.0);(248.11286,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(41.03858,38.73);(43.01784,11.49);(45.03349,16.86);(57.03349,7.93);(59.01276,7.51);(61.02841,24.75);(68.04948,100.0);(70.06513,22.93);(73.02841,13.03);(73.02841,13.03);(73.02841,13.03);(74.09643,5.8);(75.04406,10.98);(75.04406,10.98);(75.04406,10.98);(86.06004,66.52);(89.02332,6.96);(89.02332,6.96);(103.03897,34.17);(103.03897,34.17);(103.03897,34.17);(105.05462,10.18);(107.03389,11.62);(121.04954,7.92);(128.0706,12.77);(132.10191,6.16);(133.04954,8.29);(133.04954,8.29);(133.04954,8.29);(133.04954,8.29);(137.04445,11.5);(142.04987,20.1);(144.06552,7.41);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(163.0601,14.06);(172.06043,6.7);(181.07066,23.92);(181.07066,23.92);(181.07066,23.92);(181.07066,23.92);(181.07066,23.92);(181.07066,23.92);(181.07066,23.92);(188.09173,6.79);(188.09173,6.79);(188.09173,6.79);(188.09173,6.79);(212.09173,5.62);(212.09173,5.62);(212.09173,5.62);(212.09173,5.62);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(230.1023,11.43);(248.11286,18.02);(248.11286,18.02);(248.11286,18.02);(248.11286,18.02);(248.11286,18.02);(248.11286,18.02);(248.11286,18.02)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,100.0);(43.05423,10.24);(45.03349,7.96);(52.01818,56.02);(54.03383,89.42);(57.03349,9.37);(59.04914,11.51);(59.04914,11.51);(68.04948,79.31);(70.06513,38.18);(73.02841,7.94);(73.02841,7.94);(73.02841,7.94);(75.04406,7.42);(75.04406,7.42);(75.04406,7.42);(103.03897,7.31);(103.03897,7.31);(103.03897,7.31);(107.07027,9.53);(143.03389,7.75);(143.03389,7.75);(143.03389,7.75);(143.03389,7.75)

Food Sources

Name	Group
Cassava	Vegetables, Tubers	Publications	Show
Flaxseed	Oilseed crops	Publications	Show
linseed	Cereals and cereal products	Publications	Show

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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Showing entry for Linamarin