**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

lupeol

Properties Image MNX_ID MNXM4039 reference chebi:6570 formula C30H50O global charge 0 mol weight 426.729 InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 SMILES (mnx) [C@@:1]12([CH3:24])[C@@:2]3([CH3:25])[C@H:5]([C@:3]4([CH3:26])[C@H:6]([C:8]([CH3:29])([CH3:30])[C@H:19]([CH3:27])[CH2:22][CH2:14]4)[CH2:16][CH2:11]3)[CH2:15][CH2:13][C@H:4]1[C@@H:7]1[C@H:9]([C:17](=[CH2:23])[CH3:28])[CH2:18][CH2:21][C@@:10]1([OH:31])[CH2:20][CH2:12]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:6570 chebi:6570 MQYXUWHLBZFQQO-QGTGJCAVSA-N	lupeol (3beta)-lup-20(29)-en-3-ol beta-viscol fagarasterol monogynol B
kegg.compound:C08628 keggC:C08628 lipidmaps:LMPR0106130001 lipidmapsM:LMPR0106130001 MQYXUWHLBZFQQO-QGTGJCAVSA-N	Lupeol
seed.compound:cpd05535 seedM:cpd05535 MQYXUWHLBZFQQO-QGTGJCAVSA-N	Lupeol clerodol farganasterol lupenol lupeol monogynol B
metacyc.compound:CPD-90 metacycM:CPD-90 MQYXUWHLBZFQQO-QGTGJCAVSA-N	lupeol clerodol farganasterol lupenol monogynol B
chebi:132397 keggC:M_C08628 seedM:M_cpd05535	secondary/obsolete/fantasy identifier