KEGG   COMPOUND: C04166
Entry
C04166                      Compound                               

Name
(+/-)-6-Hydroxy-3-oxo-alpha-ionol;
Vomifoliol
Formula
C13H20O3
Exact mass
224.1412
Mol weight
224.2961
Structure
Other DBs
PubChem: 6848
ChEBI: 28258
NIKKAJI: J2.747.122F
KCF data

ATOM        16
            1   C1z C    17.4129  -16.8917
            2   C1z C    17.4129  -18.3126
            3   C2y C    16.1857  -16.1942
            4   C2b C    18.6336  -16.1876
            5   O1a O    17.4129  -15.4901
            6   C1x C    16.1857  -19.0297
            7   C1a C    17.4129  -19.7206
            8   C1a C    18.6788  -18.7519
            9   C2x C    14.9650  -16.8917
            10  C1a C    16.1652  -14.8001
            11  C2b C    19.8480  -16.8851
            12  C5x C    14.9650  -18.3126
            13  C1c C    21.0623  -16.1812
            14  O5x O    13.7443  -19.0102
            15  C1a C    21.0623  -14.7796
            16  O1a O    22.2830  -16.8788
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 1
            16    9  12 1

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