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

8,8a-Deoxyoleandolide

Properties Image MNX_ID MNXM1103620 reference chebi:29504 formula C20H36O6 global charge 0 mol weight 372.502 InChIKey OLPAVFVRSHWADO-KYEFFAPUSA-N InChI InChI=1S/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10+,11+,12+,13-,14-,15-,17+,18+,19+/m1/s1 SMILES C[C@@H]1[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@H]1O MNX internals InChI (mnx) InChI=1/C20H36O6/c1-9-8-10(2)17(22)13(5)19(24)14(6)20(25)26-15(7)11(3)18(23)12(4)16(9)21/h9-15,17-19,22-24H,8H2,1-7H3/t9-,10+,11+,12+,13-,14-,15-,17+,18+,19+/m1/s1 SMILES (mnx) [C@@H:1]1([OH:26])[CH2:2][C@@H:4]([CH3:8])[C@@H:7]([CH3:12])[C@@H:11]([CH3:16])[C@@H:15]([CH3:19])[C@H:20]([OH:24])[O:23](=[O:25])[O:21][C@H:17]([OH:22])[C@H:13]([CH3:18])[C@H:9]([CH3:14])[C@@H:5]([CH3:10])[C:3]1=[CH2:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:29504 chebi:29504 kegg.compound:C11989 keggC:C11989 lipidmaps:LMPK04000030 lipidmapsM:LMPK04000030 OLPAVFVRSHWADO-KYEFFAPUSA-N	8,8a-Deoxyoleandolide
seed.compound:cpd08786 seedM:cpd08786 OLPAVFVRSHWADO-KYEFFAPUSA-N	8,8a-Deoxyoleandolide 8,8a-deoxyoleandolide
metacyc.compound:CPD-13946 metacycM:CPD-13946 OLPAVFVRSHWADO-KYEFFAPUSA-N	8,8a-deoxyoleandolide
keggC:M_C11989 seedM:M_cpd08786	secondary/obsolete/fantasy identifier