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

PropertiesImage
MNX_IDMNXM13580 Image of MNXM13580
referencechebi:138383
formulaC10H18O2
global charge0
mol weight170.252
InChIKeyGGAXPLCKKANQED-DTWKUNHWSA-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+/m0/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+/m0/s1 Image of MNXM13580
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)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138383
chebi:138383
GGAXPLCKKANQED-DTWKUNHWSA-N 		(4S,7R)-7-isopropyl-4-methyloxepan-2-one
(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid lactone
(4S,7R)-4-methyl-7-(propan-2-yl)oxepan-2-one
(4S-trans)-7-isopropyl-4-methyloxepan-2-one

metacyc.compound:CPD-10108
metacycM:CPD-10108
seed.compound:cpd22561
seedM:cpd22561
SLM:000597970
slm:000597970
GGAXPLCKKANQED-DTWKUNHWSA-N 		(4S,7R)-7-isopropyl-4-methyloxepan-2-one

seedM:M_cpd22561 		secondary/obsolete/fantasy identifier