COMPOUND: C11418
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Entry
C11418 Compound
Name
(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
Formula
C10H16O2
Exact mass
168.1150
Mol weight
168.23
Structure
Mol file
KCF file
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Reaction
R06389
R06393
Pathway
map00903
Limonene degradation
Enzyme
1.14.13.105
3.1.1.83
Other DBs
PubChem:
13592
ChEBI:
64232
NIKKAJI:
J2.774.367F
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KCF data
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ATOM 12
1 C1y C 24.3618 -16.7129
2 C7x C 25.7562 -16.6993
3 O7x O 26.6489 -17.7799
4 C1x C 23.5043 -17.8159
5 C1x C 26.3623 -19.1489
6 C1x C 23.8331 -19.1800
7 C1y C 25.1072 -19.7722
8 C1a C 23.7430 -15.4569
9 O6a O 26.3535 -15.4293
10 C2c C 25.1253 -21.1731
11 C1a C 23.9201 -21.8856
12 C2a C 26.3405 -21.8560
BOND 12
1 6 7 1
2 1 4 1
3 1 8 1 #Down
4 2 9 2
5 3 5 1
6 2 3 1
7 4 6 1
8 7 10 1 #Up
9 1 2 1
10 10 11 1
11 5 7 1
12 10 12 2
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