KEGG   COMPOUND: C12287
Entry
C12287                      Compound                               

Name
beta-Ionone;
trans-beta-Ionone
Formula
C13H20O
Exact mass
192.1514
Mol weight
192.2973
Structure
Comment
See alpha-Ionone [CPD:C12286]
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C12287  beta-Ionone
Other DBs
CAS: 79-77-6
PubChem: 14431
ChEBI: 32325
ChEMBL: CHEMBL559945
KNApSAcK: C00029816
PDB-CCD: ID3[PDBj]
NIKKAJI: J4.392C
KCF data

ATOM        14
            1   C2y C    26.7837  -19.5423
            2   C2y C    26.7837  -20.9532
            3   C1z C    25.5570  -18.8360
            4   C2b C    27.9999  -18.8303
            5   C1x C    25.5570  -21.6769
            6   C1x C    24.3407  -19.5423
            7   C1a C    26.2088  -17.6917
            8   C2b C    29.2160  -19.5364
            9   C1x C    24.3407  -20.9532
            10  C5a C    30.4312  -18.8244
            11  O5a O    30.4253  -17.4248
            12  C1a C    24.8018  -17.6890
            13  C1a C    28.0116  -21.6585
            14  C1a C    31.6325  -19.5171
BOND        14
            1     1   4 1
            2     2   5 1
            3     3   6 1
            4     3   7 1
            5     4   8 2
            6     5   9 1
            7     8  10 1
            8    10  11 2
            9     6   9 1
            10    3  12 1
            11    1   2 2
            12    2  13 1
            13    1   3 1
            14   10  14 1

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