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

Properties

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Occurences in reactions

MNX_ID

MNXM2893

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

formula

C₁₀H₁₈O₂

charge

mass

170.13068

reference

chebi:50250

InChIKey

GGAXPLCKKANQED-BDAKNGLRSA-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+/m1/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:50250 chebi:50250	(4R,7S)-7-isopropyl-4-methyloxepan-2-one (4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone (4R,7S)-4-methyl-7-(1-methylethyl)-2-oxepanone (4R,7S)-4-methyl-7-(1-methylethyl)oxepan-2-one (4R,7S)-4-methyl-7-(propan-2-yl)oxepan-2-one (4R-trans)-4-methyl-7-(1-methylethyl)-2-oxepanone (4R-trans)-7-isopropyl-4-methyloxepan-2-one Mentholactone
kegg.compound:C18027 keggC:C18027	(4R,7S)-7-Isopropyl-4-methyloxepan-2-one (4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone Mentholactone
metacyc.compound:CPD-10107 metacycM:CPD-10107	(4R,7S)-7-isopropyl-4-methyloxepan-2-one
lipidmaps:LMPR0102090054 lipidmapsM:LMPR0102090054	(4R,7S)-7-isopropyl-4-methyloxepan-2-one (4R,7S)-4-methyl-7-(1-methylethyl)-2-oxepanone (4R,7S)-4-methyl-7-(1-methylethyl)oxepan-2-one (4R,7S)-4-methyl-7-(propan-2-yl)oxepan-2-one (4R-trans)-4-methyl-7-(1-methylethyl)-2-oxepanone (4R-trans)-7-isopropyl-4-methyloxepan-2-one
seed.compound:cpd18048 seedM:cpd18048 kegg.compound:C18066 keggC:C18066	7-Isopropyl-4-methyloxepan-2-one
seed.compound:cpd22210 seedM:cpd22210	7-isopropyl-4-methyloxepan-2-ones
CHEBI:50243 chebi:50243	7-isopropyl-4-methyloxepan-2-one 4-methyl-7-(1-methylethyl)-2-oxepanone 4-methyl-7-(1-methylethyl)oxepan-2-one 4-methyl-7-(propan-2-yl)oxepan-2-one 4-methyl-7-isopropyl-2-oxepanone 6-hydroxy-3,7-dimethylcaprylic acid epsilon-lactone 6-hydroxy-3,7-dimethyloctanoic acid lactone
seed.compound:cpd18010 seedM:cpd18010	Mentholactone (4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone (4R,7S)-7-Isopropyl-4-methyloxepan-2-one (4R,7S)-7-isopropyl-4-methyloxepan-2-one
hmdb:HMDB0040330	Menthone lactone (4R-trans)-4-Methyl-7-(1-methylethyl)-2-oxepanone (4R-trans)-7-Isopropyl-4-methyloxepan-2-one 3,7-Dimethyl-6-octanolide 3-Methyl-6-isopropyl-6-hexanolide 4-Methyl-7-(1-methylethyl)-(4R,7S)-2-oxepanone 4-Methyl-7-(1-methylethyl)-2-oxepanone 4-Methyl-7-(1-methylethyl)oxepan-2-one 4-Methyl-7-(propan-2-yl)oxepan-2-one 4-Methyl-7-isopropyl-2-oxepanone 4-methyl-7-(propan-2-yl)oxepan-2-one 6-Hydroxy-3,7-dimethylcaprylate epsilon-lactone 6-Hydroxy-3,7-dimethylcaprylic acid epsilon-lactone 6-Hydroxy-3,7-dimethyloctanoate lactone 6-Hydroxy-3,7-dimethyloctanoic acid lactone 7-Isopropyl-4-methyloxepan-2-one FEMA 3355 menthone lactone
metacyc.compound:7-isopropyl-4-methyloxepan-2-ones metacycM:7-isopropyl-4-methyloxepan-2-ones	a 7-isopropyl-4-methyloxepan-2-one a 7-isopropyl-4-methyl-2-oxo-oxepanon
hmdb:HMDB40330 keggC:M_C18027 keggC:M_C18066 seedM:M_cpd18010 seedM:M_cpd18048 seedM:M_cpd22210	secondary/obsolete/fantasy identifier