KEGG   COMPOUND: C22225
Entry
C22225                      Compound                               

Name
(S)-8-Oxocitronellyl enol
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.122       5.5.1.34        5.5.1.35
Other DBs
PubChem: 405226416
KCF data

ATOM        12
            1   O4a O    24.0677  -16.5116
            2   C4a C    22.8084  -17.2112
            3   C2c C    21.6190  -16.5116
            4   C2b C    20.4296  -17.2112
            5   C1b C    19.1702  -16.5116
            6   C1b C    17.9808  -17.2112
            7   C1c C    16.7914  -16.5116
            8   C2b C    15.5321  -17.2112
            9   C2b C    14.3427  -16.5116
            10  O1a O    13.1533  -17.2112
            11  C1a C    16.7914  -15.1123
            12  C1a C    21.6190  -15.1123
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10    7  11 1 #Up
            11    3  12 1

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