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

baruol

Properties Image MNX_ID MNXM5632 reference chebi:63712 formula C30H50O global charge 0 mol weight 426.729 InChIKey XJJAVFWIAXATMT-KNUFMLCHSA-N InChI InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1 SMILES CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 MNX internals InChI (mnx) InChI=1/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1 SMILES (mnx) [C@H:1]12[C:2](=[CH:10][CH2:8][C@H:7]3[C@@:9]1([CH3:22])[CH2:14][CH2:13][C@@:11]1([CH3:24])[C:12]3([CH3:23])[CH2:18][CH2:16][C@@:15]([CH2:25][CH2:27]/[CH:28]=[C:29](\[CH3:30])[OH:31])([CH3:26])[CH2:17]1)[C:4]([CH3:19])([CH3:20])[C@@H:6]([CH3:21])[CH2:5][CH2:3]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:63712 chebi:63712 XJJAVFWIAXATMT-KNUFMLCHSA-N	baruol (2S,4aS,4bR,6aS,8R,10aR,10bS)-1,1,4b,6a,8,10a-hexamethyl-8-(4-methylpent-3-en-1-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-ol D:B-friedobaccharan-5,21-dien-3-ol
kegg.compound:C20200 keggC:C20200 XJJAVFWIAXATMT-KNUFMLCHSA-N	Baruol
seed.compound:cpd21433 seedM:cpd21433 XJJAVFWIAXATMT-KNUFMLCHSA-N	Baruol D:B-friedo-baccharan-5,21-dien-3-ol baruol
metacyc.compound:CPD-10308 metacycM:CPD-10308 XJJAVFWIAXATMT-KNUFMLCHSA-N	baruol D:B-friedo-baccharan-5,21-dien-3-ol
keggC:M_C20200 seedM:M_cpd21433	secondary/obsolete/fantasy identifier