KEGG   COMPOUND: C19591
Entry
C19591                      Compound                               

Name
1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal
Formula
C17H16O8
Exact mass
348.0845
Mol weight
348.3041
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 124490263
ChEBI: 82582
KCF data

ATOM        25
            1   C8y C    27.5806  -20.5912
            2   C8y C    28.7357  -19.8862
            3   C8y C    27.5747  -22.0129
            4   C8y C    29.9561  -20.5970
            5   O7x O    28.7420  -18.4706
            6   C8x C    28.7357  -22.7177
            7   C8y C    31.1881  -19.8981
            8   C8y C    29.9561  -22.0129
            9   C8y C    29.9738  -17.7718
            10  C8y C    31.1938  -18.4825
            11  C1x C    32.5267  -20.3424
            12  O2a O    31.1881  -22.7177
            13  O6a O    29.9629  -16.3502
            14  C5x C    32.5385  -18.0560
            15  C1x C    33.3619  -19.1992
            16  C1a C    32.4083  -21.9949
            17  O5x O    32.9827  -16.7055
            18  O1a O    26.3096  -22.7213
            19  C1c C    26.3677  -19.8800
            20  C1c C    25.1407  -20.5884
            21  C4a C    23.9136  -19.8800
            22  C1b C    26.3724  -18.4632
            23  O1a O    25.1611  -17.7586
            24  O1a O    25.1407  -21.7217
            25  O4a O    22.7144  -20.5722
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   19  22 1
            25   22  23 1
            26   20  24 1
            27   21  25 2

» Japanese version

DBGET integrated database retrieval system