KEGG   COMPOUND: C22553
Entry
C22553                      Compound                               
Name
Maesopsin
Formula
C15H12O6
Exact mass
288.0634
Mol weight
288.2522
Structure
Reaction
R13084 R13086
Pathway
map00946  Degradation of flavonoids
map01100  Metabolic pathways
Other DBs
CAS: 5989-16-2
LinkDB
KCF data

ATOM        21
            1   C8y C    16.0482  -16.0482
            2   C8y C    16.0482  -14.6466
            3   C8y C    14.8568  -16.7490
            4   C8x C    14.8568  -13.9458
            5   C8x C    13.6655  -16.0482
            6   O1a O    14.8568  -18.1506
            7   C8y C    13.6655  -14.6466
            8   O1a O    12.4741  -13.9458
            9   C5x C    17.3797  -16.4687
            10  C1z C    18.2207  -15.3474
            11  O2x O    17.3797  -14.2261
            12  O5x O    17.8703  -17.8002
            13  C1b C    19.2018  -16.3285
            14  O1a O    18.9215  -14.1561
            15  C8y C    20.6034  -16.3285
            16  C8x C    21.3042  -17.5899
            17  C8x C    22.7058  -17.5899
            18  C8y C    23.4065  -16.3285
            19  C8x C    22.7058  -15.1372
            20  C8x C    21.3042  -15.1372
            21  O1a O    24.8081  -16.3285
BOND        23
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     3   6 1
            6     4   7 2
            7     7   8 1
            8     5   7 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12    2  11 1
            13    9  12 2
            14   10  13 1
            15   10  14 1
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1

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