KEGG   COMPOUND: C12286
Entry
C12286                      Compound                               

Name
alpha-Ionone
Formula
C13H20O
Exact mass
192.1514
Mol weight
192.2973
Structure
Comment
See beta-Ionone [CPD:C12287]
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C12286  alpha-Ionone
Other DBs
CAS: 127-41-3
PubChem: 14430
ChEBI: 32319
ChEMBL: CHEMBL472877
NIKKAJI: J183.660I
KCF data

ATOM        14
            1   C1y C    26.8220  -19.5270
            2   C2y C    26.8220  -20.9367
            3   C1z C    25.5965  -18.8214
            4   C2b C    28.0370  -18.8157
            5   C2x C    25.5965  -21.6595
            6   C1x C    24.3814  -19.5270
            7   C1a C    26.2478  -17.6784
            8   C2b C    29.2520  -19.5211
            9   C1x C    24.3814  -20.9367
            10  C5a C    30.4659  -18.8098
            11  O5a O    30.4600  -17.4117
            12  C1a C    31.6809  -19.5154
            13  C1a C    24.8422  -17.6757
            14  C1a C    28.0487  -21.6413
BOND        14
            1     1   3 1
            2     1   4 1
            3     2   5 2
            4     3   6 1
            5     3   7 1
            6     4   8 2
            7     5   9 1
            8     8  10 1
            9    10  11 2
            10   10  12 1
            11    6   9 1
            12    3  13 1
            13    1   2 1
            14    2  14 1

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