COMPOUND: C22013
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Entry
C22013 Compound
Name
(4S)-4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carbaldehyde
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.33
Structure
Mol file
KCF file
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Reaction
R12228
R12229
Enzyme
1.14.14.160
Other DBs
PubChem:
384585073
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KCF data
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ATOM 16
1 C1x C 15.0354 -16.8451
2 C1x C 15.0354 -18.2372
3 C1z C 16.2187 -19.0737
4 C1x C 17.4716 -18.2372
5 C2y C 17.4716 -16.8451
6 C2x C 16.2187 -16.0795
7 C1y C 18.6549 -16.0795
8 C1a C 15.2442 -19.8381
9 C1a C 17.1932 -19.8381
10 C1x C 19.8381 -16.8451
11 C2x C 21.0910 -16.0795
12 C2y C 21.0910 -14.6874
13 C1x C 19.8381 -13.9913
14 C1x C 18.6549 -14.6874
15 C4a C 22.2743 -13.9913
16 O4a O 22.2743 -12.5992
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 2
17 10 7 1
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