COMPOUND: C22845
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Entry
C22845 Compound
Name
(2E)-alpha-Cericerene;
(1E,4R,7E,11E)-1,7,11-Trimethyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclotetrdeca-1,7,11-triene
Formula
C25H40
Exact mass
340.3130
Mol weight
340.58
Structure
Mol file
KCF file
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Reaction
R13235
Enzyme
4.2.3.219
Other DBs
PubChem:
497620198
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KCF data
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ATOM 25
1 C1x C 15.2600 -13.5100
2 C2x C 15.2600 -12.1100
3 C2x C 12.8100 -12.1100
4 C2y C 12.8100 -13.5100
5 C1x C 14.0700 -14.2100
6 C2y C 16.4500 -11.4100
7 C1x C 16.4500 -10.0100
8 C1x C 15.2600 -9.3100
9 C2y C 12.8100 -9.3100
10 C1x C 11.6200 -10.0100
11 C1x C 11.6200 -11.4100
12 C1y C 15.2600 -7.9100
13 C1x C 14.0700 -7.2100
14 C2x C 12.8100 -7.9100
15 C2c C 16.4500 -7.2100
16 C2b C 17.7100 -7.9100
17 C1b C 18.9000 -7.2100
18 C2b C 20.0900 -7.9100
19 C2c C 21.3500 -7.2100
20 C1a C 17.6400 -12.1100
21 C1a C 11.6200 -14.2100
22 C1a C 14.0000 -10.0100
23 C1a C 16.4500 -5.8100
24 C1a C 22.5400 -7.9100
25 C1a C 21.3500 -5.8100
BOND 25
1 1 2 1
2 3 4 2
3 4 5 1
4 1 5 1
5 2 6 2
6 6 7 1
7 7 8 1
8 9 10 1
9 10 11 1
10 3 11 1
11 8 12 1
12 12 13 1
13 13 14 1
14 14 9 2
15 12 15 1 #Down
16 15 16 2
17 16 17 1
18 17 18 1
19 18 19 2
20 6 20 1
21 4 21 1
22 9 22 1
23 15 23 1
24 19 24 1
25 19 25 1
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