COMPOUND: C22896
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Entry
C22896 Compound
Name
Phomopsene;
(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-Pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Mol file
KCF file
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Reaction
R13294
Enzyme
4.2.3.222
Other DBs
PubChem:
497620247
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KCF data
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ATOM 20
1 C1y C 20.0345 -15.3449
2 C1z C 20.0345 -16.7121
3 C1x C 21.3349 -17.1346
4 C1x C 22.1385 -16.0285
5 C1z C 21.3349 -14.9224
6 C1y C 18.7341 -14.9224
7 C1z C 17.9305 -16.0285
8 C1x C 18.7341 -17.1346
9 C1x C 18.1780 -13.6733
10 C1x C 16.8183 -13.5304
11 C2y C 16.0145 -14.6365
12 C2y C 16.5707 -15.8856
13 C1x C 16.0145 -17.1346
14 C1x C 17.0306 -18.0495
15 C1y C 18.2148 -17.3659
16 C1a C 14.6442 -14.4923
17 C1a C 19.0448 -18.6062
18 C1a C 20.4567 -18.3746
19 C1a C 20.9809 -13.3282
20 C1a C 22.5067 -14.0923
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 1
8 7 8 1 #Up
9 2 8 1
10 6 9 1
11 9 10 1
12 10 11 1
13 11 12 2
14 7 12 1
15 12 13 1
16 13 14 1
17 14 15 1
18 7 15 1
19 11 16 1
20 15 17 1 #Up
21 2 18 1 #Up
22 5 19 1
23 5 20 1
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