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

PropertiesImage
MNX_IDMNXM2893 Image of MNXM2893
referencechebi:50250
formulaC10H18O2
global charge0
mol weight170.252
InChIKeyGGAXPLCKKANQED-BDAKNGLRSA-N
InChIInChI=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
SMILESCC(C)[C@@H]1CC[C@@H](C)CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1 Image of MNXM2893
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[C@@H:9]1[CH2:5][CH2:4][C@@H:8]([CH3:3])[CH2:6][C:10](=[O:11])[O:12]1
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
IdentifierDescription

CHEBI:50250
chebi:50250
GGAXPLCKKANQED-BDAKNGLRSA-N 		(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
GGAXPLCKKANQED-BDAKNGLRSA-N 		(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
SLM:000597859
slm:000597859
GGAXPLCKKANQED-BDAKNGLRSA-N 		(4R,7S)-7-isopropyl-4-methyloxepan-2-one

lipidmaps:LMPR0102090054
lipidmapsM:LMPR0102090054
GGAXPLCKKANQED-BDAKNGLRSA-N 		(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
GGAXPLCKKANQED-UHFFFAOYSA-N 		7-Isopropyl-4-methyloxepan-2-one

seed.compound:cpd22210
seedM:cpd22210
GGAXPLCKKANQED-UHFFFAOYSA-N 		7-isopropyl-4-methyloxepan-2-ones

CHEBI:50243
chebi:50243
GGAXPLCKKANQED-UHFFFAOYSA-N 		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
GGAXPLCKKANQED-BDAKNGLRSA-N 		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

vmhM:mnthlctn
vmhmetabolite:mnthlctn
GGAXPLCKKANQED-BDAKNGLRSA-N 		Mentholactone
4-methyl-7-(propan-2-yl)oxepan-2-one
hmdb:HMDB0040330
GGAXPLCKKANQED-UHFFFAOYSA-N 		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
GGAXPLCKKANQED-UHFFFAOYSA-N 		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
vmhM:M_mnthlctn 		secondary/obsolete/fantasy identifier