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oryzalexin A

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1376953

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

formula

C₂₀H₃₀O₂

charge

mass

302.458

reference

chebi:78258

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

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78258 chebi:78258	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	Oryzalexin A
hmdb:HMDB0301859	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	Oryzalexin A oryzalexin A
chebi:7796 keggC:M_C09148 seedM:M_cpd06044	secondary/obsolete/fantasy identifier