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(4S,7R)-7-isopropyl-4-methyloxepan-2-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM13580

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₀H₁₈O₂

charge

mass

170.13068

reference

InChIKey

GGAXPLCKKANQED-DTWKUNHWSA-N

InChI

InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1

SMILES

CC(C)[C@H]1CC[C@H](C)CC(=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138383 chebi:138383	(4S,7R)-7-isopropyl-4-methyloxepan-2-one (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid lactone (4S,7R)-4-methyl-7-(propan-2-yl)oxepan-2-one (4S-trans)-7-isopropyl-4-methyloxepan-2-one
metacyc.compound:CPD-10108 metacycM:CPD-10108 seed.compound:cpd22561 seedM:cpd22561	(4S,7R)-7-isopropyl-4-methyloxepan-2-one
seedM:M_cpd22561	secondary/obsolete/fantasy identifier