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

alpha-seco-amyrin

Properties Image MNX_ID MNXM5054 reference chebi:63464 formula C30H50O global charge 0 mol weight 426.729 InChIKey BMTRRCREWLAQBX-CHJNBIAGSA-N InChI InChI=1S/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/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)CC[C@@H](C)[C@H](C)[C@@H]12 MNX internals InChI (mnx) InChI=1/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/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@H:19]([OH:31])[C@@H:17]2[CH3:30]

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:63464 chebi:63464 BMTRRCREWLAQBX-CHJNBIAGSA-N	alpha-seco-amyrin (2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-{2-[(4aR,7R,8S,8aR)-2,4a,7,8-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-secoursa-7,13-diene-3beta-ol
kegg.compound:C20191 keggC:C20191 BMTRRCREWLAQBX-CHJNBIAGSA-N	alpha-seco-Amyrin 8,14-Secoursa-7,13-diene-3beta-ol
seed.compound:cpd21424 seedM:cpd21424 BMTRRCREWLAQBX-CHJNBIAGSA-N	alpha-seco-Amyrin 8,14-Secoursa-7,13-diene-3beta-ol alpha-seco-amyrin
metacyc.compound:CPD-13882 metacycM:CPD-13882 seed.compound:cpd29079 seedM:cpd29079 BMTRRCREWLAQBX-CHJNBIAGSA-N	alpha-seco-amyrin
keggC:M_C20191 seedM:M_cpd21424 seedM:M_cpd29079	secondary/obsolete/fantasy identifier