COMPOUND: C00848
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Entry
C00848 Compound
Name
6-Oxocineole;
(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one;
2-Oxo-1,8-cineole
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol file
KCF file
DB search
Reaction
R02994
R02995
Pathway
map00902
Monoterpenoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.1.1.241
1.14.13.51
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010209 Menthane monoterpenoids
C00848 6-Oxocineole
BRITE hierarchy
Other DBs
CAS:
70222-88-7
PubChem:
4105
ChEBI:
16123
LIPIDMAPS:
LMPR0102090064
3DMET:
B04736
NIKKAJI:
J288.891B
LinkDB
All DBs
KCF data
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ATOM 12
1 C1z C 27.7897 -17.9198
2 O2x O 29.1598 -18.2065
3 C5x C 25.9825 -18.3377
4 C1x C 27.3561 -16.5127
5 C1a C 28.6480 -17.0883
6 C1z C 29.1598 -19.3401
7 C1x C 25.6844 -19.4802
8 C1x C 26.8528 -17.0696
9 C1y C 27.5807 -18.9647
10 C1a C 30.0900 -19.9002
11 C1a C 29.1598 -20.5114
12 O5x O 24.9131 -17.2385
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 6 9 1
9 6 10 1
10 6 11 1
11 7 9 1
12 8 9 1
13 3 12 2
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