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
R09412 R09414
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

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (939)   
   KEGG GENES (939)   
All databases (944)   

Download RDF
DBGET integrated database retrieval system