COMPOUND: C21686
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Entry
C21686 Compound
Name
(+)-(1E,4E,6S,7R)-Germacra-1(10),4-dien-6-ol;
(1S,2E,6E,10R)-3,7-Dimethyl-10-(propan-2-yl)cyclodeca-2,6-dien-1-ol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Mol file
KCF file
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Reaction
R11831
Enzyme
4.2.3.166
Other DBs
PubChem:
350078263
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KCF data
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ATOM 16
1 C2x C 17.0900 -15.5247
2 C2y C 18.1867 -14.6610
3 C1x C 19.5521 -14.9724
4 C1x C 20.1540 -16.2256
5 C2x C 17.0900 -16.9337
6 C1y C 19.5530 -17.4929
7 C1y C 18.1867 -17.8045
8 C1x C 15.7500 -15.0893
9 C1x C 14.9218 -16.2292
10 C2y C 15.7500 -17.3691
11 C1a C 15.3200 -18.6923
12 C1a C 17.8728 -13.2688
13 O1a O 17.8825 -19.1435
14 C1c C 20.4233 -18.5780
15 C1a C 21.8274 -18.3627
16 C1a C 19.9271 -19.8527
BOND 16
1 3 4 1
2 4 6 1
3 2 3 1
4 5 7 1
5 1 2 2
6 6 7 1
7 1 8 1
8 8 9 1
9 9 10 1
10 5 10 2
11 10 11 1
12 2 12 1
13 7 13 1 #Down
14 6 14 1 #Down
15 14 15 1
16 14 16 1
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