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(3S,6S)-6-isopropenyl-3-methyloxepan-2-one

PropertiesImage
MNX_IDMNXM5372 Image of MNXM5372
referencechebi:64231
formulaC10H16O2
global charge0
mol weight168.236
InChIKeyBBKYOZJVRPOMGL-DTWKUNHWSA-N
InChIInChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
SMILESC=C(C)[C@@H]1CC[C@H](C)C(=O)OC1
MNX internals
InChI (mnx)InChI=1/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1 Image of MNXM5372
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[C@@H:9]1[CH2:5][CH2:4][C@H:8]([CH3:3])[C:10](=[O:11])[O:12][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64231
chebi:64231
BBKYOZJVRPOMGL-DTWKUNHWSA-N 		(3S,6S)-6-isopropenyl-3-methyloxepan-2-one
(3S,6S)-3-methyl-6-(prop-1-en-2-yl)oxepan-2-one

kegg.compound:C11403
keggC:C11403
BBKYOZJVRPOMGL-DTWKUNHWSA-N 		(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone

seed.compound:cpd08257
seedM:cpd08257
BBKYOZJVRPOMGL-DTWKUNHWSA-N 		(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
(3S,6R)-6-isopropenyl-3-methyl-oxo-oxepanone
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one

metacyc.compound:CPD-10068
metacycM:CPD-10068
BBKYOZJVRPOMGL-DTWKUNHWSA-N 		(3S,6R)-6-isopropenyl-3-methyloxepan-2-one
(3S,6R)-6-isopropenyl-3-methyl-oxo-oxepanone

keggC:M_C11403
seedM:M_cpd08257 		secondary/obsolete/fantasy identifier