COMPOUND: C21684
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Entry
C21684 Compound
Name
(+)-Eremophilene;
(3S,4aS,5R)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol file
KCF file
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Reaction
R11829
Enzyme
4.2.3.164
Other DBs
PubChem:
350078261
ChEBI:
137562
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KCF data
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ATOM 15
1 C1x C 15.0047 -14.8021
2 C1x C 15.0047 -16.2049
3 C1y C 16.2196 -16.9063
4 C1z C 17.4345 -16.2049
5 C2y C 17.4345 -14.8021
6 C2x C 16.2196 -14.1007
7 C1x C 18.6494 -16.9063
8 C1y C 19.8642 -16.2049
9 C1x C 19.8642 -14.8021
10 C1x C 18.6494 -14.1007
11 C2c C 21.0642 -16.8978
12 C1a C 21.0642 -18.3006
13 C2a C 22.2548 -16.2103
14 C1a C 17.4345 -17.6077
15 C1a C 16.2196 -18.3091
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
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 8 11 1 #Down
13 11 12 1
14 11 13 2
15 4 14 1 #Down
16 3 15 1 #Down
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