COMPOUND: C21827
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Entry
C21827 Compound
Name
ent-Cassa-12,15-dien-2beta-ol
Formula
C20H32O
Exact mass
288.2453
Mol weight
288.47
Structure
Mol file
KCF file
DB search
Reaction
R11982
R11983
R11985
Enzyme
1.14.14.69
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KCF data
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ATOM 21
1 C1y C 14.3287 -15.8664
2 C1x C 14.3287 -17.2644
3 C1z C 15.5170 -17.9633
4 C1y C 16.7751 -17.2644
5 C1z C 16.7751 -15.8664
6 C1x C 15.5170 -15.1675
7 C1x C 17.9633 -17.9633
8 C1x C 19.1516 -17.2644
9 C1y C 19.1516 -15.8664
10 C1y C 17.9633 -15.1675
11 C1y C 20.4097 -15.1675
12 C2y C 20.4097 -13.7696
13 C2x C 19.1516 -13.0007
14 C1x C 17.9633 -13.7696
15 C2b C 21.5979 -13.0007
16 C2a C 22.8561 -13.6997
17 C1a C 21.5979 -15.8664
18 C1a C 16.7751 -14.4685
19 C1a C 15.9363 -19.2914
20 C1a C 14.5384 -18.9419
21 O1a O 13.1163 -15.1664
BOND 23
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
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