KEGG   COMPOUND: C20425
Entry
C20425                      Compound                               

Name
beta-Cyclocitral;
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde
Formula
C10H16O
Exact mass
152.1201
Mol weight
152.2334
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C20425  beta-Cyclocitral
Other DBs
CAS: 432-25-7
PubChem: 163312162
ChEMBL: CHEMBL1952257
KNApSAcK: C00042278
PDB-CCD: 6KX[PDBj]
KCF data

ATOM        11
            1   C1x C    16.2596  -15.9074
            2   C1x C    16.2596  -17.3088
            3   C1x C    17.4509  -18.0096
            4   C1z C    18.6422  -17.3088
            5   C2y C    18.6422  -15.9074
            6   C2y C    17.4509  -15.2066
            7   C4a C    19.9035  -15.2066
            8   O4a O    19.9035  -13.8051
            9   C1a C    17.4509  -13.8051
            10  C1a C    20.0436  -17.6592
            11  C1a C    19.0626  -18.6402
BOND        11
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     6   9 1
            10    4  10 1
            11    4  11 1

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