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8,8a-Deoxyoleandolide

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103620

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

formula

C₂₀H₃₆O₆

charge

mass

372.502

reference

chebi:29504

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

[CH3:1][C@@H:9]1[CH2:8][C@H:10]([CH3:2])[C@H:17]([OH:22])[C@@H:13]([CH3:5])[C@H:19]([OH:24])[C@@H:14]([CH3:6])[C:20](=[O:25])[O:26][C@H:15]([CH3:7])[C@H:11]([CH3:3])[C@H:18]([OH:23])[C@@H:12]([CH3:4])[C:16]1=[O:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29504 chebi:29504 kegg.compound:C11989 keggC:C11989 lipidmaps:LMPK04000030 lipidmapsM:LMPK04000030	8,8a-Deoxyoleandolide
seed.compound:cpd08786 seedM:cpd08786	8,8a-Deoxyoleandolide 8,8a-deoxyoleandolide
metacyc.compound:CPD-13946 metacycM:CPD-13946	8,8a-deoxyoleandolide
keggC:M_C11989 seedM:M_cpd08786	secondary/obsolete/fantasy identifier