KEGG   COMPOUND: C19731
Entry
C19731                      Compound                               
Name
(3S)-3-Hydroxycyclocitral;
3beta-Hydroxy-beta-cyclocitral;
(4R)-4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-carboxaldehyde
Formula
C10H16O2
Exact mass
168.1150
Mol weight
168.23
Structure
Reaction
R09603 R10843 R10844 R12136
Pathway
map00999  Biosynthesis of various plant secondary metabolites
Enzyme
1.13.11.84
Other DBs
PubChem: 135626198
LinkDB
KCF data

ATOM        12
            1   O4a O    11.8080  -18.0481
            2   C4a C    10.5996  -17.3502
            3   C2y C     9.3909  -18.0481
            4   C1z C     8.1739  -17.3502
            5   C2y C     9.3909  -19.4610
            6   C1x C     6.9568  -18.0565
            7   C1x C     8.1739  -20.1673
            8   C1a C    10.5996  -20.1589
            9   C1y C     6.9568  -19.4610
            10  O1a O     5.7313  -20.1589
            11  C1a C     9.1620  -16.3621
            12  C1a C     7.3207  -16.2411
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     9  10 1 #Up
            10    7   9 1
            11    4  11 1
            12    4  12 1

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