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

PropertiesImage
MNX_IDMNXM2045 Image of MNXM2045
referencechebi:233
formulaC10H16O2
global charge0
mol weight168.236
InChIKeyDNWZWUWUDAGNJB-BDAKNGLRSA-N
InChIInChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
SMILESC=C(C)[C@H]1CC[C@@H](C)OC(=O)C1
MNX internals
InChI (mnx)InChI=1/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1 Image of MNXM2045
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[C@H:9]1[CH2:5][CH2:4][C@@H:8]([CH3:3])[O:12][C:10](=[O:11])[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:233
chebi:233
DNWZWUWUDAGNJB-BDAKNGLRSA-N 		(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
(4S,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-one
(4S,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-one
(4S,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
4-Isopropenyl-7-methyloxepan-2-one

seed.compound:cpd08268
seedM:cpd08268
DNWZWUWUDAGNJB-BDAKNGLRSA-N 		(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
(4S,7R)-4-isopropenyl-7-methyl-2-oxo-oxepanone
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
4-Isopropenyl-7-methyloxepan-2-one

kegg.compound:C11414
keggC:C11414
DNWZWUWUDAGNJB-BDAKNGLRSA-N 		(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
4-Isopropenyl-7-methyloxepan-2-one

lipidmaps:LMPR0102090059
lipidmapsM:LMPR0102090059
DNWZWUWUDAGNJB-BDAKNGLRSA-N 		(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
(4S,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-one
(4S,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-one
(4S,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

metacyc.compound:CPD-10064
metacycM:CPD-10064
DNWZWUWUDAGNJB-BDAKNGLRSA-N 		(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
(4S,7R)-4-isopropenyl-7-methyl-2-oxo-oxepanone

keggC:M_C11414
seedM:M_cpd08268 		secondary/obsolete/fantasy identifier