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ent-3beta-hydroxy-cassa-12,15-diene-11-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM116119

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

formula

C₂₀H₃₀O₂

charge

mass

302.22458

reference

metacycM:CPD-16675

InChIKey

YIBIQGNVXNLHOE-ZIWUNDNJSA-N

InChI

InChI=1S/C20H30O2/c1-6-13-11-15(21)18-14(12(13)2)7-8-16-19(3,4)17(22)9-10-20(16,18)5/h6,11-12,14,16-18,22H,1,7-10H2,2-5H3/t12-,14?,16-,17-,18+,20-/m1/s1

SMILES

C=CC1=CC(=O)[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@]32C)[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-16675 metacycM:CPD-16675	ent-3beta-hydroxy-cassa-12,15-diene-11-one (3alpha,14alpha)-3-hydroxy-14-methyl-13-vinylpodocarp-12-en-11-one 3alpha-ol-11-oxo-ent-cassa-12,15-diene
seed.compound:cpd35869 seedM:cpd35869	(3alpha,14alpha)-3-hydroxy-14-methyl-13-vinylpodocarp-12-en-11-one 3alpha-ol-11-oxo-ent-cassa-12,15-diene ent-3beta-hydroxy-cassa-12,15-diene-11-one
seed.compound:cpd28865 seedM:cpd28865	ent-cassa-12,15-diene-3alpha-ol-11-keto ent-cassadiene-3alpha-ol-11-keto
seedM:M_cpd28865 seedM:M_cpd35869	secondary/obsolete/fantasy identifier