COMPOUND: C20480
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Entry
C20480 Compound
Name
Valerena-4,7(11)-diene;
(4S,7R,7aR)-3,7-Dimethyl-4-(2-methylprop-1-en-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.35
Structure
Mol file
KCF file
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Reaction
R10275
Enzyme
4.2.3.139
Other DBs
PubChem:
163312217
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KCF data
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ATOM 15
1 C1y C 18.4815 -16.5396
2 C1x C 19.6854 -15.8529
3 C2b C 18.4815 -17.9432
4 C1y C 18.4815 -13.7500
5 C1x C 19.6854 -14.4494
6 C2c C 19.6854 -18.6312
7 C1a C 18.4815 -12.3520
8 C1a C 20.8951 -17.9316
9 C1a C 19.6912 -20.0288
10 C2y C 17.2668 -15.8465
11 C1y C 17.2715 -14.4494
12 C1x C 15.9416 -14.0073
13 C1x C 15.1176 -15.1372
14 C2y C 15.9342 -16.2728
15 C1a C 15.4839 -17.6489
BOND 16
1 3 6 2
2 4 7 1 #Down
3 6 8 1
4 6 9 1
5 4 5 1
6 10 1 1
7 1 2 1
8 1 3 1 #Up
9 11 4 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 10 2
15 2 5 1
16 14 15 1
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