COMPOUND: C22200
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Entry
C22200 Compound
Name
(+)-cis,cis-Nepetalactol;
(4aR,7S,7aS)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol file
KCF file
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Reaction
R12483
R12521
Enzyme
1.1.1.419
5.5.1.35
Other DBs
PubChem:
405226391
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KCF data
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ATOM 12
1 C1y C 18.4589 -16.8447
2 C1y C 18.4589 -15.4410
3 C1y C 19.7222 -17.5464
4 C1y C 17.1254 -17.2657
5 C2y C 19.7222 -14.7391
6 C1x C 17.1254 -15.0198
7 O2x O 20.9154 -16.8447
8 C1x C 16.3533 -16.1428
9 C2x C 20.9154 -15.4410
10 C1a C 19.7222 -13.3354
11 O1a O 19.7222 -18.9466
12 C1a C 16.7631 -18.6180
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 6 8 1
11 7 9 1
12 3 11 1
13 4 12 1 #Up
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