COMPOUND: C20576
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Entry
C20576 Compound
Name
Kunzeaol;
6beta-Hydroxygermacra-1(10),4-diene;
(1R,2E,6E,10R)-3,7-Dimethyl-10-isopropylcyclodeca-2,6-dienol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.37
Structure
Mol file
KCF file
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Reaction
R10493
Enzyme
4.2.3.143
Other DBs
PubChem:
172232313
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KCF data
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ATOM 16
1 C2x C 18.1830 -14.9905
2 C2y C 19.2864 -14.1215
3 C1x C 20.6602 -14.4348
4 C1x C 21.2658 -15.6957
5 C2x C 18.1830 -16.4082
6 C1y C 20.6611 -16.9707
7 C1y C 19.2864 -17.2844
8 C1x C 16.8348 -14.5524
9 C1x C 16.0015 -15.6993
10 C2y C 16.8348 -16.8462
11 C1a C 16.4022 -18.1775
12 C1a C 18.9706 -12.7207
13 C1c C 21.5180 -18.0384
14 C1a C 22.8711 -17.8306
15 C1a C 20.9999 -19.3714
16 O1a O 18.9769 -18.6473
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 6 13 1 #Down
14 13 14 1
15 13 15 1
16 7 16 1 #Up
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