KEGG   COMPOUND: C14096
Entry
C14096                      Compound                               
Name
3-Formylsalicylic acid;
2-Hydroxyisophthalaldehydic acid
Formula
C8H6O4
Exact mass
166.0266
Mol weight
166.1308
Structure
Reaction
R06923 R06924
Pathway
map00626  Naphthalene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.3.-         4.2.1.-
Other DBs
CAS: 610-04-8
PubChem: 854332
ChEBI: 34334
PDB-CCD: 7ZS[PDBj]
NIKKAJI: J765.258E
LinkDB
KCF data

ATOM        12
            1   C8x C    22.7425  -17.5921
            2   C8x C    22.7425  -18.9916
            3   C8x C    23.9585  -19.6949
            4   C8y C    23.9585  -16.8959
            5   C8y C    25.1672  -17.5921
            6   C8y C    25.2313  -18.9916
            7   O1a O    26.3832  -16.9009
            8   C6a C    23.9602  -15.4963
            9   O6a O    25.1741  -14.7944
            10  O6a O    22.7481  -14.7914
            11  C4a C    26.3741  -19.6953
            12  O4a O    27.5873  -18.9924
BOND        12
            1     2   3 1
            2     5   6 1
            3     7   5 1
            4     3   6 2
            5     4   8 1
            6     5   4 2
            7     8   9 2
            8     4   1 1
            9     8  10 1
            10    6  11 1
            11    1   2 2
            12   11  12 2

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