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6-oxocineole

PropertiesImage
MNX_IDMNXM1995 Image of MNXM1995
referencechebi:16123
formulaC10H16O2
global charge0
mol weight168.236
InChIKeyCCBAAZXPXFYPBE-OIBJUYFYSA-N
InChIInChI=1S/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
SMILESCC1(C)O[C@]2(C)CC[C@H]1CC2=O
MNX internals
InChI (mnx)InChI=1/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10?/m0/s1 Image of MNXM1995
SMILES (mnx)[CH3:1][C:9]1([CH3:2])[CH:7]2[CH2:4][CH2:5][C@:10]([CH3:3])([C:8](=[O:11])[CH2:6]2)[O:12]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16123
chebi:16123
lipidmaps:LMPR0102090064
lipidmapsM:LMPR0102090064
CCBAAZXPXFYPBE-OIBJUYFYSA-N 		6-oxocineole
(-)-1,3,3-Trimethyl-2-oxabicyclo(2.2.1)octan-6-one
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one
(1R,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
(R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
6-Oxocineole

seed.compound:cpd00632
seedM:cpd00632
CCBAAZXPXFYPBE-OIBJUYFYSA-N 		6-Oxocineole
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
2-Oxo-1,8-cineole
6-oxocineole

kegg.compound:C00848
keggC:C00848
CCBAAZXPXFYPBE-UHFFFAOYSA-N 		6-Oxocineole
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one
2-Oxo-1,8-cineole

metacyc.compound:CPD-790
metacycM:CPD-790
CCBAAZXPXFYPBE-BYDSUWOYSA-N 		6-oxo-1,8-cineole
(1R,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one
6-oxocineole

chebi:12225
chebi:20748
chebi:2228
keggC:M_C00848
seedM:M_cpd00632 		secondary/obsolete/fantasy identifier