KEGG   COMPOUND: C14095
Entry
C14095                      Compound                               
Name
2-Hydroxy-3-carboxybenzalpyruvate;
3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid
Formula
C11H8O6
Exact mass
236.0321
Mol weight
236.1776
Structure
Reaction
Pathway
map00626  Naphthalene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
4.2.1.-         5.3.99.-
Other DBs
CAS: 162794-83-4
PubChem: 854331
ChEBI: 19602
NIKKAJI: J2.787.873C
LinkDB
KCF data

ATOM        17
            1   C8x C    21.8631  -17.5987
            2   C8x C    21.8631  -18.9999
            3   C8x C    23.0804  -19.7040
            4   C8y C    23.0804  -16.9017
            5   C8y C    24.2836  -17.5987
            6   C8y C    24.2776  -18.9999
            7   C2b C    25.4889  -19.7091
            8   C2b C    26.7062  -19.0102
            9   O1a O    25.5009  -16.9069
            10  C6a C    23.0821  -15.5007
            11  O6a O    24.2903  -14.7981
            12  O6a O    21.8687  -14.7950
            13  C5a C    27.9553  -19.7351
            14  C6a C    29.1480  -19.0498
            15  O6a O    30.3337  -19.7378
            16  O5a O    27.9523  -21.1398
            17  O6a O    29.1513  -17.6403
BOND        17
            1     6   7 1
            2     7   8 2
            3     9   5 1
            4     4  10 1
            5     1   2 2
            6    10  11 2
            7     2   3 1
            8    10  12 1
            9     3   6 2
            10    5   4 2
            11    4   1 1
            12    5   6 1
            13    8  13 1
            14   13  14 1
            15   14  15 1
            16   13  16 2
            17   14  17 2

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