COMPOUND: C22012
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Entry
C22012 Compound
Name
[(4S)-4-(5,5-Dimethylcyclohex-1-en-1-yl)-cyclohex-1-en-1-yl]methanol
Formula
C15H24O
Exact mass
220.1827
Mol weight
220.35
Structure
Mol file
KCF file
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Reaction
R12227
R12228
Enzyme
1.14.14.160
Other DBs
PubChem:
384585072
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KCF data
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ATOM 16
1 C1x C 15.0002 -16.7657
2 C1x C 15.0002 -18.1744
3 C1z C 16.2677 -18.8784
4 C1x C 17.3951 -18.1744
5 C2y C 17.3951 -16.7657
6 C2x C 16.1977 -16.0613
7 C1y C 18.5926 -16.0613
8 C1a C 15.2816 -19.8645
9 C1a C 17.2539 -19.8645
10 C1x C 19.7901 -16.7657
11 C2x C 21.0581 -16.0613
12 C2y C 21.0581 -14.6525
13 C1x C 19.7901 -13.9481
14 C1x C 18.5926 -14.6525
15 C1b C 22.2783 -13.9480
16 O1a O 22.2783 -12.5389
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 3 8 1
9 3 9 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 7 14 1
15 12 15 1
16 15 16 1
17 10 7 1
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