precursor

Showing entry for Phaseoloside D

Identification

PhytoHub ID
PHUB000184
Name
Phaseoloside D
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
1381.516
Monoisotopic Mass
1380.656156569
Chemical Formula
C65H104O31
IUPAC Name
(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxane-2-carboxylic acid
InChI Key
CVMFAOXHGIFMQV-BVXNWBLKSA-N
InChI Identifier
InChI=1S/C65H104O31/c1-25-35(70)39(74)43(78)54(87-25)86-23-31-38(73)41(76)52(96-55-44(79)40(75)37(72)29(20-66)88-55)59(90-31)92-48-30(21-67)89-56(45(80)42(48)77)95-51-36(71)28(69)22-85-58(51)93-49-46(81)50(53(83)84)94-57(47(49)82)91-34-12-13-62(5)32(63(34,6)24-68)11-14-65(8)33(62)10-9-26-27-19-60(2,3)15-16-61(27,4)17-18-64(26,65)7/h9,17-18,25,27-52,54-59,66-82H,10-16,19-24H2,1-8H3,(H,83,84)/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52+,54+,55-,56-,57+,58-,59-,61+,62-,63+,64+,65+/m0/s1
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4O[C@@H]4[C@@H](O)[C@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@]7(C)[C@@H]6CC=C6[C@@H]8CC(C)(C)CC[C@]8(C)C=C[C@@]76C)[C@@]5(C)CO)O[C@@H]([C@H]4O)C(O)=O)O[C@@H]3CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.88e+00 g/l
LogS (ALOGPS)
-2.87
LogP (ALOGPS)
0.39
Hydrogen Acceptors
31
Hydrogen Donors
18
Rotatable Bond Count
17
Polar Surface Area
491.9700000000002
Refractivity
321.63959999999986
Polarizability
143.90605977185194
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6855192304481084
pKa (strongest acidic)
3.3483467634822572
Number of Rings
11
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Terpene glycosides
Direct Parent Name
Diterpene glycosides
Alternative Parent Names
["Acetals", "Beta hydroxy acids and derivatives", "Carbonyl compounds", "Carboxylic acids", "Diterpenoids", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "O-glucuronides", "O-glycosyl compounds", "Oligosaccharides", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Pyrans", "Secondary alcohols", "Steroids and steroid derivatives"]
External Descriptor Annotations
["Triterpenoids (C30)", "diterpene glycoside"]
Substituent Names
["1-o-glucuronide", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Beta-hydroxy acid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Diterpene glycoside", "Diterpenoid", "Glucuronic acid or derivatives", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxy acid", "Monocarboxylic acid or derivatives", "O-glucuronide", "O-glycosyl compound", "Oligosaccharide", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Pyran", "Secondary alcohol", "Steroid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(147.0657338,0.9064506165);(163.0606485,1.641834884);(179.0555631,0.5487505897);(181.0712131,0.8740677293);(405.3521264,1.502026445);(421.3470411,0.5704244567);(423.3626911,6.128724191);(423.3626911,2.682462826);(441.3732558,12.31518882);(471.1713807,0.6820790337);(487.1662953,0.5243724072);(599.3947791,6.878139965);(617.4053438,8.07569288);(651.2347688,0.6381516543);(713.4264732,0.6845126681);(731.4370378,8.270274959);(749.4476025,5.545243722);(893.4898613,4.82355445);(893.4898613,2.430880632);(911.5004259,3.877326532);(1055.542685,0.6481088995);(1183.590029,0.8646714003);(1201.600593,1.086033157);(1201.600593,7.107112407);(1203.616244,0.6157703326);(1217.595508,1.702912819);(1219.611158,2.222399073);(1345.642852,0.539037462);(1363.653417,12.56303764);(1363.653417,1.052983935);(1381.663982,1.997773408)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(133.0500838,0.5767965376);(145.0500838,0.8214724236);(147.0657338,1.120902397);(163.0606485,1.534252534);(165.0762985,0.4991339718);(177.039913,0.5440025725);(295.1029072,0.5351082166);(309.0821717,0.4745051807);(309.1185573,0.6865451801);(405.3521264,1.666020861);(421.3470411,0.4745695524);(423.3626911,5.528474467);(423.3626911,8.970815827);(441.3732558,18.35742139);(471.1713807,0.6194206717);(599.3947791,6.826824013);(617.4053438,11.1159984);(731.4370378,6.708629199);(749.4476025,6.742979191);(893.4898613,2.191511109);(893.4898613,3.472132208);(911.5004259,3.943239338);(1055.542685,1.17035738);(1071.537599,1.352758431);(1073.553249,0.7297204716);(1201.600593,0.5582857557);(1201.600593,4.902842374);(1217.595508,2.045306626);(1219.611158,0.8450762775);(1335.658502,0.6964863901);(1363.653417,4.288411049)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(87.00821896,1.317170971);(133.0500838,1.415883927);(145.0500838,1.562897477);(163.0606485,3.046019549);(165.0762985,1.372392117);(177.039913,1.586534731);(295.1029072,1.263946695);(309.0821717,1.183709681);(309.1185573,2.113696806);(323.2738761,1.695793944);(351.3051762,2.196406218);(405.3521264,1.345762747);(423.3626911,6.021192865);(423.3626911,3.493983518);(439.3576057,1.055712339);(441.3732558,22.9210421);(471.1349952,1.031772448);(471.1713807,1.228085589);(599.3947791,4.334674656);(617.4053438,11.24700689);(731.4370378,3.533957873);(747.4319525,1.023564122);(749.4476025,6.693131938);(893.4898613,1.798533218);(909.4847759,1.023564122);(911.5004259,2.81220097);(1055.542685,2.271357118);(1201.600593,2.273217321);(1217.595508,1.198855489);(1363.653417,3.99087608);(1363.653417,1.94705648)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(56.99765427,3.561053206);(87.00821896,2.696299224);(133.0500838,1.689098107);(145.0500838,2.190001415);(161.0449984,2.310032637);(163.0606485,2.5691248);(179.0555631,4.948718079);(231.0504777,1.611763881);(421.3470411,3.176417521);(421.3470411,2.896764768);(439.3576057,7.850851042);(559.1874247,1.592233014);(597.379129,1.309529944);(615.3896937,4.752632196);(631.208554,1.909723292);(649.2191187,3.258790272);(721.2402481,1.427623019);(729.4213878,5.936615773);(747.4319525,3.79436015);(881.2774214,1.43894279);(891.4742112,1.895973752);(891.4742112,1.68945887);(909.4847759,2.923664426);(1199.584943,4.576666201);(1217.595508,2.019350925);(1233.590423,2.051276703);(1333.642852,2.131334161);(1335.658502,2.154556204);(1349.637767,2.668513941);(1361.637767,12.1902049);(1379.648332,4.778424791)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(73.0289544,2.156179089);(89.02386902,2.754767018);(133.0500838,1.397108548);(145.0500838,3.78089656);(161.0449984,5.221882627);(163.0606485,3.399510519);(179.0555631,7.715880127);(409.3470411,3.149151489);(421.3470411,1.476028399);(421.3470411,3.618361749);(439.3576057,10.41680718);(469.1557306,1.770685383);(585.379129,1.343515561);(597.379129,1.591028374);(597.379129,1.543693701);(615.3896937,5.375854406);(631.208554,2.156617865);(643.4209938,1.414479383);(649.2191187,3.625651317);(729.4213878,3.231621908);(747.4319525,3.681098128);(891.4742112,2.059504783);(891.4742112,1.407828231);(909.4847759,2.150058485);(957.2934654,2.04719479);(1199.584943,3.014588452);(1275.637373,1.412985677);(1333.642852,1.655284714);(1349.637767,2.290820652);(1361.637767,7.191757986);(1361.637767,5.9491569)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,1.205156721);(43.01838972,5.157269145);(59.01330434,1.802414998);(61.0289544,1.333518289);(73.0289544,2.259179994);(89.02386902,1.480071203);(103.0395191,1.320955365);(147.0293483,2.874088013);(161.0449984,2.637367466);(163.0606485,1.223873078);(177.039913,2.782011316);(179.0555631,13.19619388);(407.331391,1.963553766);(409.3470411,5.972221162);(439.3576057,16.21876888);(485.1506452,2.260608163);(487.1662953,3.286475149);(569.3842144,2.59909621);(571.3998645,1.266140406);(615.3896937,8.474383724);(631.208554,1.36304149);(649.2191187,2.404716619);(701.4264732,1.775325656);(747.4319525,4.648873769);(863.4792966,1.328336671);(909.4847759,2.19316409);(1113.548164,1.215677183);(1171.590029,1.098610417);(1259.606073,1.203715031);(1275.600987,1.271452926);(1333.642852,2.183739215)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(145.04954,5.35);(145.04954,5.35);(145.04954,5.35);(145.04954,5.35);(165.07575,5.66);(165.07575,5.66);(165.07575,5.66);(307.10236,6.88);(307.10236,6.88);(325.11292,13.91);(325.11292,13.91);(327.12857,7.63);(327.12857,7.63);(393.35158,6.75);(423.36214,9.28);(423.36214,9.28);(423.36214,9.28);(423.36214,9.28);(441.37271,9.37);(441.37271,9.37);(441.37271,9.37);(441.37271,9.37);(441.37271,9.37);(453.16027,5.53);(471.17083,10.15);(471.17083,10.15);(471.17083,10.15);(471.17083,10.15);(471.17083,10.15);(471.17083,10.15);(487.16575,4.56);(487.16575,4.56);(489.1814,4.72);(489.1814,4.72);(489.1814,4.72);(489.1814,4.72);(599.39423,14.4);(599.39423,14.4);(599.39423,14.4);(599.39423,14.4);(615.21309,5.85);(615.21309,5.85);(615.21309,5.85);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(617.4048,16.43);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(633.22366,8.34);(731.43649,20.64);(731.43649,20.64);(731.43649,20.64);(731.43649,20.64);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(749.44705,27.99);(893.48931,7.56);(893.48931,7.56);(893.48931,7.56);(911.49988,8.22);(911.49988,8.22);(911.49988,8.22);(959.30857,5.89);(1073.5527,5.03);(1201.60004,5.27);(1201.60004,5.27);(1201.60004,5.27);(1201.60004,5.27);(1201.60004,5.27);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1217.59496,33.84);(1219.57422,4.51);(1219.57422,4.51);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1235.60552,26.2);(1325.60083,10.13);(1325.60083,10.13);(1345.6423,12.33);(1345.6423,12.33);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1363.65287,67.81);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0);(1381.66343,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(145.04954,11.85);(145.04954,11.85);(145.04954,11.85);(145.04954,11.85);(163.0601,11.78);(163.0601,11.78);(163.0601,11.78);(163.0601,11.78);(163.0601,11.78);(163.0601,11.78);(253.19508,13.7);(253.19508,13.7);(253.19508,13.7);(307.10236,11.09);(307.10236,11.09);(325.11292,10.85);(325.11292,10.85);(327.12857,19.94);(327.12857,19.94);(337.28898,10.39);(337.28898,10.39);(343.12349,15.24);(405.35158,25.5);(423.36214,13.21);(423.36214,13.21);(423.36214,13.21);(423.36214,13.21);(471.17083,11.01);(471.17083,11.01);(471.17083,11.01);(471.17083,11.01);(471.17083,11.01);(471.17083,11.01);(473.18648,13.43);(473.18648,13.43);(473.18648,13.43);(487.16575,12.33);(487.16575,12.33);(489.1814,16.88);(489.1814,16.88);(489.1814,16.88);(489.1814,16.88);(599.39423,43.53);(599.39423,43.53);(599.39423,43.53);(599.39423,43.53);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(617.4048,100.0);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(633.22366,18.89);(651.23422,14.03);(731.43649,10.28);(731.43649,10.28);(731.43649,10.28);(731.43649,10.28);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(749.44705,24.29);(1073.5527,13.69);(1109.41303,13.01);(1109.41303,13.01);(1113.44433,11.38);(1113.44433,11.38);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1217.59496,15.26);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1235.60552,47.57);(1263.60044,11.5);(1275.60044,11.28);(1323.62157,9.67);(1323.62157,9.67);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1363.65287,30.44);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98);(1381.66343,73.98)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(41.03858,24.23);(45.03349,11.58);(71.04914,13.05);(71.04914,13.05);(87.04406,10.8);(87.04406,10.8);(107.08553,18.61);(131.07027,10.86);(131.07027,10.86);(131.07027,10.86);(133.10118,18.28);(135.11683,14.47);(135.11683,14.47);(135.11683,14.47);(137.13248,100.0);(139.14813,44.34);(191.17943,10.81);(217.07066,16.64);(257.22638,12.22);(257.22638,12.22);(257.22638,12.22);(307.10236,12.3);(307.10236,12.3);(471.17083,19.33);(471.17083,19.33);(471.17083,19.33);(471.17083,19.33);(471.17083,19.33);(471.17083,19.33);(761.44705,13.2);(895.50496,20.18);(895.50496,20.18);(895.50496,20.18);(895.50496,20.18);(1131.55818,14.2);(1131.55818,14.2);(1161.56874,11.84);(1161.56874,11.84);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1217.59496,11.28);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1219.61061,14.09);(1227.49128,16.22);(1231.52258,29.93);(1231.61061,13.86);(1231.61061,13.86);(1237.62117,10.38);(1237.62117,10.38);(1291.63174,11.66);(1291.63174,11.66);(1291.63174,11.66);(1293.611,12.95);(1307.62665,17.51);(1307.62665,17.51);(1307.62665,17.51);(1321.60592,15.19);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45);(1381.66343,71.45)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(101.02442,2.98);(101.02442,2.98);(145.05063,4.55);(145.05063,4.55);(145.05063,4.55);(145.05063,4.55);(145.05063,4.55);(145.05063,4.55);(145.05063,4.55);(161.04555,3.13);(161.04555,3.13);(161.04555,3.13);(421.34759,3.25);(421.34759,3.25);(439.35815,6.73);(729.42194,3.95);(729.42194,3.95);(729.42194,3.95);(729.42194,3.95);(729.42194,3.95);(729.42194,3.95);(729.42194,3.95);(731.43759,4.65);(731.43759,4.65);(1199.58549,3.81);(1199.58549,3.81);(1199.58549,3.81);(1199.58549,3.81);(1217.59606,4.62);(1217.59606,4.62);(1217.59606,4.62);(1217.59606,4.62);(1275.60154,3.78);(1275.60154,3.78);(1275.63792,3.4);(1277.61719,3.31);(1277.61719,3.31);(1305.6121,3.73);(1305.6121,3.73);(1307.62775,3.54);(1307.62775,3.54);(1307.62775,3.54);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1319.62775,5.3);(1335.62267,4.65);(1335.62267,4.65);(1335.62267,4.65);(1351.65397,3.82);(1351.65397,3.82);(1351.65397,3.82);(1351.65397,3.82);(1351.65397,3.82);(1351.65397,3.82);(1351.65397,3.82);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1361.63832,17.85);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(43.01894,22.26);(55.01894,13.91);(57.03459,14.47);(57.03459,14.47);(59.01385,21.21);(59.01385,21.21);(73.0295,15.66);(73.0295,15.66);(145.05063,14.87);(145.05063,14.87);(145.05063,14.87);(145.05063,14.87);(145.05063,14.87);(145.05063,14.87);(145.05063,14.87);(469.15628,16.73);(469.15628,16.73);(469.15628,16.73);(469.15628,16.73);(487.16684,11.22);(487.16684,11.22);(487.16684,11.22);(487.16684,11.22);(487.16684,11.22);(487.16684,11.22);(567.36911,18.81);(569.38476,21.05);(569.38476,21.05);(597.37968,22.52);(597.37968,22.52);(597.37968,22.52);(597.37968,22.52);(597.37968,22.52);(599.39533,17.28);(599.39533,17.28);(599.39533,17.28);(615.39024,12.91);(615.39024,12.91);(615.39024,12.91);(615.39024,12.91);(615.39024,12.91);(615.39024,12.91);(615.39024,12.91);(631.2091,12.02);(631.2091,12.02);(631.2091,12.02);(729.42194,10.92);(729.42194,10.92);(729.42194,10.92);(729.42194,10.92);(729.42194,10.92);(729.42194,10.92);(729.42194,10.92);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(747.4325,17.71);(891.47476,24.76);(891.47476,24.76);(891.47476,24.76);(891.47476,24.76);(891.47476,24.76);(891.47476,24.76);(893.49041,10.85);(893.49041,10.85);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(909.48532,36.76);(1233.59097,18.0);(1239.63792,20.32);(1275.60154,22.55);(1275.60154,22.55);(1277.61719,16.77);(1277.61719,16.77);(1305.6121,15.77);(1305.6121,15.77);(1307.62775,12.56);(1307.62775,12.56);(1307.62775,12.56);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1319.62775,42.99);(1321.6434,20.89);(1321.6434,20.89);(1321.6434,20.89);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1349.63832,13.12);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1361.63832,23.97);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0);(1379.64888,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(43.01894,19.77);(55.01894,13.19);(57.03459,15.41);(57.03459,15.41);(59.01385,16.36);(59.01385,16.36);(73.0295,9.51);(73.0295,9.51);(103.00368,11.11);(119.07137,14.63);(147.0299,11.56);(161.04555,17.35);(161.04555,17.35);(161.04555,17.35);(323.09837,27.64);(323.09837,27.64);(323.09837,27.64);(339.09329,11.47);(407.33194,12.9);(501.14611,11.82);(509.36363,8.76);(567.36911,12.17);(569.38476,11.73);(569.38476,11.73);(583.36403,100.0);(589.19854,9.63);(591.21419,9.25);(597.37968,8.85);(597.37968,8.85);(597.37968,8.85);(597.37968,8.85);(597.37968,8.85);(605.44228,18.94);(613.37459,19.38);(613.37459,19.38);(613.37459,19.38);(613.37459,19.38);(613.37459,19.38);(613.37459,19.38);(615.39024,45.78);(615.39024,45.78);(615.39024,45.78);(615.39024,45.78);(615.39024,45.78);(615.39024,45.78);(615.39024,45.78);(643.38516,13.88);(729.42194,15.19);(729.42194,15.19);(729.42194,15.19);(729.42194,15.19);(729.42194,15.19);(729.42194,15.19);(729.42194,15.19);(745.41685,9.46);(745.41685,9.46);(745.41685,9.46);(745.41685,9.46);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(747.4325,47.61);(1289.61719,8.86);(1289.61719,8.86);(1289.61719,8.86);(1289.61719,8.86);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1319.62775,31.06);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88);(1379.64888,20.88)

Food Sources

NameGroup
Common beanPulses and beans PublicationsShow

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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