KEGG   COMPOUND: C19590
Entry
C19590                      Compound                               

Name
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
Formula
C17H18O8
Exact mass
350.1002
Mol weight
350.32
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 124490262
ChEBI: 82581
KCF data

ATOM        25
            1   C8y C    24.6262  -18.2728
            2   C8y C    25.7675  -17.5762
            3   C8y C    24.6204  -19.6776
            4   C8y C    26.9734  -18.2786
            5   O7x O    25.7736  -16.1775
            6   C8x C    25.7675  -20.3740
            7   C8y C    28.1907  -17.5879
            8   C8y C    26.9734  -19.6776
            9   C8y C    26.9909  -15.4869
            10  C8y C    28.1964  -16.1892
            11  C1x C    29.5135  -18.0270
            12  O2a O    28.1907  -20.3740
            13  O6a O    27.0492  -14.0822
            14  C5x C    29.5252  -15.7678
            15  C1x C    30.3387  -16.8974
            16  C1a C    29.3965  -19.6598
            17  O5x O    29.9641  -14.4333
            18  O1a O    23.3703  -20.3776
            19  C1c C    23.4276  -17.5700
            20  C1c C    22.2151  -18.2700
            21  C1b C    21.0027  -17.5700
            22  O1a O    19.7903  -18.2700
            23  C1b C    23.4323  -16.1701
            24  O1a O    22.2354  -15.4737
            25  O1a O    22.2151  -19.5298
BOND        27
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 2
            17    6   8 2
            18    9  10 1
            19   14  15 1
            20    3  18 1
            21    1  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   19  23 1
            26   23  24 1
            27   20  25 1

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