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

beta-seco-amyrin

Properties Image MNX_ID MNXM5075 reference chebi:63466 formula C30H50O global charge 0 mol weight 426.729 InChIKey BVMWOSNBDNNUBA-NBANTFJXSA-N InChI InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 SMILES CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 SMILES (mnx) [C:1]1([CH3:24])=[C:2]([CH2:10][CH2:11][C@@H:3]2[C:5]([CH3:25])=[CH:14][CH2:12][C@H:4]3[C@:6]2([CH3:26])[CH2:16][CH2:20][C@@H:15]([CH3:22])[C:8]3([CH3:28])[CH3:29])[C@H:7]2[C@@:9]([CH3:27])([CH2:18][CH2:13]1)[CH2:21][CH2:23][C:19]([CH3:30])([OH:31])[CH2:17]2

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:63466 chebi:63466 BVMWOSNBDNNUBA-NBANTFJXSA-N	beta-seco-amyrin (2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-{2-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol 8,14-secooleana-7,13-diene-3beta-ol
kegg.compound:C20193 keggC:C20193 BVMWOSNBDNNUBA-NBANTFJXSA-N	beta-seco-Amyrin 8,14-Secooleana-7,13-diene-3beta-ol
seed.compound:cpd21426 seedM:cpd21426 BVMWOSNBDNNUBA-NBANTFJXSA-N	beta-seco-Amyrin 8,14-Secooleana-7,13-diene-3beta-ol beta-seco-amyrin
metacyc.compound:CPD-13883 metacycM:CPD-13883 seed.compound:cpd29073 seedM:cpd29073 BVMWOSNBDNNUBA-NBANTFJXSA-N	beta-seco-amyrin
keggC:M_C20193 seedM:M_cpd21426 seedM:M_cpd29073	secondary/obsolete/fantasy identifier