COMPOUND: C22628
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Entry
C22628 Compound
Name
(3S)-3-[2-Methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-methylidenecyclohexan-1-one;
5-Keto-cordycol
Formula
C15H22O2
Exact mass
234.1620
Mol weight
234.33
Structure
Mol file
KCF file
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Reaction
R13119
R13120
Enzyme
1.14.14.184
Other DBs
PubChem:
497619987
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KCF data
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ATOM 17
1 C1b C 17.3514 -14.6091
2 C2b C 16.2231 -15.2437
3 C2c C 15.0243 -14.6091
4 C1a C 13.7551 -15.2437
5 C1a C 15.0243 -13.1987
6 C1y C 18.6207 -15.3142
7 C1z C 19.8195 -14.6091
8 C1y C 21.0183 -15.3142
9 C1x C 21.0183 -16.7951
10 C5x C 22.2876 -17.3592
11 C1x C 23.4863 -16.7245
12 C1x C 23.4863 -15.3142
13 C2y C 22.2876 -14.6091
14 C2a C 22.2876 -13.1987
15 O5x O 22.2876 -18.7695
16 C1a C 19.8195 -13.1987
17 O2x O 19.7493 -16.0194
BOND 18
1 1 2 1
2 2 3 2
3 3 4 1
4 3 5 1
5 1 6 1
6 6 7 1
7 7 8 1
8 10 9 1
9 10 11 1
10 11 12 1
11 12 13 1
12 8 13 1
13 13 14 2
14 10 15 2
15 9 8 1
16 7 16 1
17 7 17 1 #Up
18 6 17 1 #Up
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