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

PropertiesImage
MNX_IDMNXM5373 Image of MNXM5373
referencechebi:64232
formulaC10H16O2
global charge0
mol weight168.236
InChIKeyBBKYOZJVRPOMGL-IUCAKERBSA-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 MNXM5373
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)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64232
chebi:64232
BBKYOZJVRPOMGL-IUCAKERBSA-N 		(3S,6R)-6-isopropenyl-3-methyloxepan-2-one
(3S,6R)-3-methyl-6-(prop-1-en-2-yl)oxepan-2-one

SLM:000597857
slm:000597857
BBKYOZJVRPOMGL-IUCAKERBSA-N 		(3S,6R)-6-isopropenyl-3-methyloxepan-2-one

kegg.compound:C11418
keggC:C11418
BBKYOZJVRPOMGL-IUCAKERBSA-N 		(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone

seed.compound:cpd08272
seedM:cpd08272
BBKYOZJVRPOMGL-IUCAKERBSA-N 		(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
(3S,6S)-6-isopropenyl-3-methyl-oxo-oxepanone
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one

metacyc.compound:CPD-10069
metacycM:CPD-10069
BBKYOZJVRPOMGL-IUCAKERBSA-N 		(3S,6S)-6-isopropenyl-3-methyloxepan-2-one
(3S,6S)-6-isopropenyl-3-methyl-oxo-oxepanone

keggC:M_C11418
seedM:M_cpd08272 		secondary/obsolete/fantasy identifier