KEGG   COMPOUND: C07718
Entry
C07718                      Compound                               
Name
2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid
Formula
C13H10O4
Exact mass
230.0579
Mol weight
230.2161
Structure
Reaction
R05410 R05538
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-
Other DBs
PubChem: 9920
ChEBI: 1126
3DMET: B01093
NIKKAJI: J2.765.233F
LinkDB
KCF data

ATOM        17
            1   C8x C    20.0879  -15.9569
            2   C8x C    20.0879  -17.3566
            3   C8x C    21.3001  -18.0565
            4   C8y C    22.5124  -17.3566
            5   C8y C    22.5124  -15.9569
            6   C8x C    21.3001  -15.2570
            7   C1x C    23.8436  -17.7892
            8   C5x C    24.6664  -16.6567
            9   C2y C    23.8436  -15.5243
            10  O5x O    26.0400  -16.6568
            11  C2b C    24.2742  -14.1996
            12  C2b C    25.6566  -13.9058
            13  C2c C    26.0856  -12.5871
            14  C6a C    27.4757  -12.2919
            15  O6a O    28.4414  -13.3652
            16  O6a O    27.9039  -10.9766
            17  O1a O    25.1666  -11.5656
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    9  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   14  16 1
            18   13  17 1

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