COMPOUND: C19084
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Entry
C19084 Compound
Name
(4S)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;
(4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one
Formula
C10H16O3
Exact mass
184.1099
Mol weight
184.23
Structure
Mol file
KCF file
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Reaction
R09390
R09391
Pathway
map00903
Limonene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.13.105
Other DBs
PubChem:
124489756
ChEBI:
82207
KCF data
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ATOM 13
1 C1z C 15.5400 -12.6000
2 O7x O 16.9400 -12.6000
3 C1x C 14.5501 -13.5899
4 C7x C 17.9299 -13.5899
5 C1x C 17.5676 -14.9422
6 C1x C 14.9124 -14.9422
7 C1y C 16.1248 -15.6422
8 O1a O 15.5400 -11.2000
9 C1a C 14.1877 -12.2377
10 O6a O 19.3299 -13.5899
11 C2c C 16.1248 -17.0422
12 C1a C 14.9124 -17.7422
13 C2a C 17.3372 -17.7422
BOND 13
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 3 6 1
6 6 7 1
7 7 5 1
8 1 8 1
9 1 9 1
10 4 10 2
11 7 11 1 #Up
12 11 12 1
13 11 13 2
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Chemical substance (2)
PubChem (1)
ChEBI (1)
All databases (2)
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