KEGG   COMPOUND: C22568
Entry
C22568                      Compound                               
Name
5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Formula
C15H12O6
Exact mass
288.0634
Mol weight
288.25
Structure
Reaction
R13074 R13075
Pathway
map00946  Degradation of flavonoids
Other DBs
PubChem: 497619927
LinkDB
KCF data

ATOM        21
            1   C8y C    16.8098  -16.9866
            2   C8y C    16.8156  -15.5830
            3   C5x C    18.0210  -17.6854
            4   C8y C    15.6043  -17.6854
            5   O2x O    18.0326  -14.8902
            6   C8y C    15.6043  -14.8843
            7   C1x C    19.2323  -16.9982
            8   O5x O    18.0152  -19.0887
            9   C8x C    14.3872  -16.9866
            10  O1a O    15.6100  -19.0830
            11  C1y C    19.2381  -15.5946
            12  C8y C    14.3872  -15.5830
            13  C8y C    20.4552  -14.8960
            14  O1a O    13.1760  -14.8843
            15  C8x C    21.6607  -15.6122
            16  C8x C    20.4552  -13.4983
            17  C8x C    22.8778  -14.9135
            18  C8x C    21.6723  -12.8113
            19  C8y C    22.8835  -13.5099
            20  O1a O    24.1007  -12.8170
            21  O1a O    15.6059  -13.5115
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  11 1
            21    9  12 2
            22   18  19 1
            23    6  21 1

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