COMPOUND: C22201
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Entry
C22201 Compound
Name
(+)-cis,cis-Nepetalactone
Formula
C10H14O2
Exact mass
166.0994
Mol weight
166.22
Structure
Mol file
KCF file
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Reaction
R12483
Enzyme
1.1.1.419
Other DBs
PubChem:
405226392
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KCF data
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ATOM 12
1 C1y C 18.4682 -16.8531
2 C1y C 18.4682 -15.4487
3 C7x C 19.7322 -17.5553
4 C1y C 17.1340 -17.2745
5 C2y C 19.7322 -14.7465
6 C1x C 17.1340 -15.0274
7 O7x O 20.9259 -16.8531
8 C1x C 16.3616 -16.1509
9 C2x C 20.9259 -15.4487
10 C1a C 19.7322 -13.3421
11 O6a O 19.7322 -18.9598
12 C1a C 16.7829 -18.6087
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 2
13 4 12 1 #Up
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