KEGG   COMPOUND: C04223
Entry
C04223                      Compound                               
Name
(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Formula
C13H18O3
Exact mass
222.1256
Mol weight
222.2802
Structure
Other DBs
PubChem: 6895
ChEBI: 18429
NIKKAJI: J2.747.726G
LinkDB
KCF data

ATOM        16
            1   C1z C    17.4147  -16.9061
            2   C1z C    17.4147  -18.3121
            3   C2y C    16.1884  -16.2062
            4   C2b C    18.6218  -16.1998
            5   O1a O    17.4082  -15.5062
            6   C1x C    16.1884  -19.0312
            7   C1a C    17.4082  -19.7119
            8   C1a C    18.6730  -18.7487
            9   C2x C    14.9813  -16.9061
            10  C1a C    16.1690  -14.7680
            11  C2b C    19.8287  -16.8996
            12  C5x C    14.9813  -18.3121
            13  C5a C    21.0424  -16.1933
            14  O5x O    13.7678  -19.0057
            15  C1a C    21.0359  -14.8000
            16  O5a O    22.2493  -16.8932
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1
            8     3   9 2
            9     3  10 1
            10    4  11 2
            11    6  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16    9  12 1

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