KEGG   COMPOUND: C19592
Entry
C19592                      Compound                               

Name
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
Formula
C17H16O8
Exact mass
348.0845
Mol weight
348.3041
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 124490264
ChEBI: 82583
KCF data

ATOM        25
            1   C8y C    24.6400  -18.2700
            2   C8y C    25.8300  -17.5700
            3   C8y C    24.6400  -19.6700
            4   C8y C    27.0200  -18.2700
            5   O7x O    25.8300  -16.1700
            6   C8x C    25.8300  -20.3700
            7   C8y C    28.2800  -17.5700
            8   C8y C    27.0200  -19.6700
            9   C8y C    27.0200  -15.4700
            10  C8y C    28.2800  -16.1700
            11  C1x C    29.6100  -17.9900
            12  O2a O    28.2800  -20.3700
            13  O6a O    27.0200  -14.0700
            14  C5x C    29.6100  -15.7500
            15  C1x C    30.4500  -16.8700
            16  C1a C    29.4700  -19.6700
            17  O5x O    30.0300  -14.4200
            18  O1a O    23.3800  -20.3700
            19  C1c C    23.4500  -17.5700
            20  C1c C    22.2600  -18.2700
            21  C1b C    21.0000  -17.5700
            22  O1a O    19.8100  -18.2700
            23  C4a C    23.4500  -16.1700
            24  O4a O    22.2600  -15.4700
            25  O1a O    22.2600  -19.5300
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 2
            27   20  25 1

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