KEGG   COMPOUND: C17857
Entry
C17857                      Compound                               
Name
Acetylatractylodinol
Formula
C15H12O3
Exact mass
240.0786
Mol weight
240.25
Structure
Other DBs
PubChem: 163311858
LinkDB
KCF data

ATOM        18
            1   C8x C    18.1300  -25.5500
            2   C8x C    19.6000  -25.5500
            3   C8y C    20.0200  -24.2200
            4   O2x O    18.8300  -23.3800
            5   C8x C    17.7100  -24.2200
            6   C2b C    21.2100  -23.5200
            7   C2b C    22.4000  -24.2200
            8   C3b C    23.5900  -23.5200
            9   C3b C    24.9900  -23.5200
            10  C3b C    26.3900  -23.5200
            11  C3b C    27.7900  -23.5200
            12  C2b C    28.9800  -24.2200
            13  C2b C    30.2400  -23.5200
            14  C1b C    31.4300  -24.2200
            15  O7a O    32.6200  -23.5200
            16  C7a C    33.8381  -24.2101
            17  C1a C    35.0195  -23.5150
            18  O6a O    33.8381  -25.6101
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     6   7 2
            7     6   3 1
            8     7   8 1
            9     8   9 3
            10    9  10 1
            11   10  11 3
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   16  18 2

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