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

beta-amyrin

Properties Image MNX_ID MNXM1077 reference chebi:10352 formula C30H50O global charge 0 mol weight 426.729 InChIKey JFSHUTJDVKUMTJ-QHPUVITPSA-N InChI InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 SMILES CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 SMILES (mnx) [C@:1]12([CH3:23])[C:2](=[CH:9][CH2:12][CH:5]3[C@:3]1([CH3:24])[CH2:11][CH2:15][C@@H:6]1[C@:4]3([CH3:25])[CH2:14][CH2:21][C@@H:17]([CH3:28])[C:8]1([CH3:26])[CH3:27])[C@H:7]1[C@:10]([CH3:29])([CH2:18][CH2:13]2)[CH2:20][CH2:22][C:19]([CH3:30])([OH:31])[CH2:16]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 48 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
CHEBI:10352 chebi:10352 JFSHUTJDVKUMTJ-QHPUVITPSA-N	beta-amyrin (3beta)-olean-12-en-3-ol 3beta-hydroxyolean-12-ene amyrin beta-Amyrenol beta-Amyrin olean-12-en-3beta-ol
lipidmaps:LMPR0106150015 lipidmapsM:LMPR0106150015 JFSHUTJDVKUMTJ-QHPUVITPSA-N	beta-Amyrin Olean-12-en-3beta-ol
kegg.compound:C08616 keggC:C08616 JFSHUTJDVKUMTJ-QHPUVITPSA-N	beta-Amyrin beta-Amyrenol
seed.compound:cpd05523 seedM:cpd05523 JFSHUTJDVKUMTJ-QHPUVITPSA-N	beta-Amyrin beta-Amyrenol beta-amyrenol beta-amyrin
metacyc.compound:CPD-6948 metacycM:CPD-6948 JFSHUTJDVKUMTJ-QHPUVITPSA-N	beta-amyrin beta-amyrenol
keggC:M_C08616 seedM:M_cpd05523	secondary/obsolete/fantasy identifier