KEGG   COMPOUND: C17474
Entry
C17474                      Compound                               
Name
Methylophiopogonone B
Formula
C19H18O5
Exact mass
326.1154
Mol weight
326.3432
Structure
Other DBs
PubChem: 96023822
ChEBI: 81116
LinkDB
KCF data

ATOM        24
            1   C8y C    22.2077  -20.4697
            2   C8y C    22.2077  -21.8672
            3   C8y C    23.3956  -22.5660
            4   C8y C    24.6534  -21.8672
            5   C8y C    24.6534  -20.4697
            6   C8y C    23.3956  -19.7709
            7   C8y C    25.8413  -22.5660
            8   C8y C    27.0293  -21.8672
            9   C8x C    27.0293  -20.4697
            10  O2x O    25.8413  -19.7709
            11  O1a O    21.0197  -19.7709
            12  C1a C    21.0197  -22.5660
            13  O1a O    23.3956  -24.0335
            14  O5x O    25.8413  -24.0335
            15  C1b C    28.2172  -22.5660
            16  C8y C    29.4051  -21.8672
            17  C8x C    30.5931  -22.5660
            18  C8x C    31.8509  -21.8672
            19  C8y C    31.8509  -20.4697
            20  C8x C    30.6630  -19.7709
            21  C8x C    29.4051  -20.4697
            22  C1a C    23.3956  -18.3733
            23  O2a O    33.0782  -19.7680
            24  C1a C    34.2985  -20.4799
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13    2  12 1
            14    3  13 1
            15    7  14 2
            16    8  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24    6  22 1
            25   19  23 1
            26   23  24 1

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