KEGG   COMPOUND: C16210
Entry
C16210                      Compound                               
Name
4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid
Formula
C14H10O4
Exact mass
242.0579
Mol weight
242.2268
Structure
Reaction
R07692 R07693 R07701
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-
Other DBs
PubChem: 47205518
ChEBI: 80381
NIKKAJI: J2.798.860A
LinkDB
KCF data

ATOM        18
            1   C8x C    23.4002  -20.1566
            2   C8x C    23.4002  -21.5585
            3   C8x C    24.6173  -22.2594
            4   C8x C    24.6173  -19.4556
            5   C8y C    25.8271  -20.1566
            6   C8y C    25.8212  -21.5585
            7   C8x C    27.0323  -22.2646
            8   C8x C    27.0444  -19.4609
            9   C8y C    28.2555  -20.1669
            10  C8y C    28.3127  -21.5653
            11  O1a O    29.4758  -19.4320
            12  C2b C    29.5039  -22.2397
            13  C2b C    30.6764  -21.5496
            14  C5a C    31.8866  -22.2349
            15  C6a C    33.1063  -21.5166
            16  O5a O    31.8980  -23.6598
            17  O6a O    34.3160  -22.2010
            18  O6a O    33.0938  -20.0901
BOND        19
            1     9   8 2
            2     8   5 1
            3     5   4 2
            4     4   1 1
            5     1   2 2
            6     2   3 1
            7     3   6 2
            8     9  10 1
            9     5   6 1
            10    6   7 1
            11    7  10 2
            12    9  11 1
            13   10  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   15  18 2

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