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

oryzalexin A

Properties Image MNX_ID MNXM65869 reference chebi:78258 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey QOWLIQGNZBOQNG-JECYIRHJSA-N InChI InChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1 SMILES C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1 SMILES (mnx) [C@@H:1]12[C@@:2]([CH3:14])([CH2:3][CH2:5][CH:4]([OH:21])[C:10]1([CH3:19])[CH3:20])[C@H:9]1[C:6](=[CH:12][C@:17]([CH:15]=[CH2:16])([CH3:18])[CH2:11][CH2:13]1)[C:7](=[O:22])[CH2:8]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:78258 chebi:78258 QOWLIQGNZBOQNG-JECYIRHJSA-N	oryzalexin A (3alpha,5beta,9beta,10alpha)-3-hydroxypimara-8(14),15-dien-7-one 3alpha,7-oxo-ent-sandaracopimaradiene 3alpha-ent-sandaracopimaradien-7-one
kegg.compound:C09148 keggC:C09148 QOWLIQGNZBOQNG-JECYIRHJSA-N	Oryzalexin A
hmdb:HMDB0301859 QOWLIQGNZBOQNG-JECYIRHJSA-N	Oryzalexin A (2R,4aR,4bS,7S,10aS)-7-ethenyl-2-hydroxy-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-one 3a,7-oxo-ent-Sandaracopimaradiene 3a-ent-Sandaracopimaradien-7-one 3alpha,7-oxo-ent-Sandaracopimaradiene 3alpha,7-oxo-ent-sandaracopimaradiene 3alpha-ent-Sandaracopimaradien-7-one 3alpha-ent-sandaracopimaradien-7-one oryzalexin A
seed.compound:cpd06044 seedM:cpd06044 QOWLIQGNZBOQNG-JECYIRHJSA-N	Oryzalexin A oryzalexin A
metacyc.compound:CPD-7093 metacycM:CPD-7093 QOWLIQGNZBOQNG-JECYIRHJSA-N	oryzalexin A
chebi:7796 keggC:M_C09148 seedM:M_cpd06044	secondary/obsolete/fantasy identifier