KEGG   COMPOUND: C22201
Entry
C22201                      Compound                               
Name
(+)-cis,cis-Nepetalactone
Formula
C10H14O2
Exact mass
166.0994
Mol weight
166.217
Structure
Reaction
R12483
Enzyme
1.1.1.419
Other DBs
PubChem: 405226392
LinkDB
KCF data

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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