COMPOUND: C21829
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Entry
C21829 Compound
Name
ent-Cassa-12,15-diene-2beta,3beta-diol
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.47
Structure
Mol file
KCF file
DB search
Reaction
R11985
R11986
Enzyme
1.14.14.69
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KCF data
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ATOM 22
1 C1y C 15.0117 -15.9194
2 C1y C 15.0117 -17.3158
3 C1z C 16.1986 -18.0140
4 C1y C 17.4554 -17.3158
5 C1z C 17.4554 -15.9194
6 C1x C 16.1986 -15.2211
7 C1x C 18.6424 -18.0140
8 C1x C 19.8293 -17.3158
9 C1y C 19.8293 -15.9194
10 C1y C 18.6424 -15.2211
11 C1y C 21.0861 -15.2211
12 C2y C 21.0861 -13.8247
13 C2x C 19.8293 -13.0567
14 C1x C 18.6424 -13.8247
15 C2b C 22.2731 -13.0567
16 C2a C 23.5298 -13.7549
17 C1a C 22.2731 -15.9194
18 C1a C 17.4554 -14.5229
19 C1a C 16.6176 -19.3406
20 C1a C 15.2211 -18.9915
21 O1a O 13.7549 -15.2211
22 O1a O 13.7992 -18.0158
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 12 15 1
18 15 16 2
19 11 17 1 #Up
20 5 18 1 #Down
21 3 19 1
22 3 20 1
23 1 21 1 #Down
24 2 22 1 #Down
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