KEGG   COMPOUND: C03057
Entry
C03057                      Compound                               

Name
2-Carboxybenzaldehyde;
Phthalaldehydic acid;
o-Formylbenzoic acid;
2-Formylbenzoic acid;
2-Formylbenzoate
Formula
C8H6O3
Exact mass
150.0317
Mol weight
150.1314
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.78        4.1.2.34
Other DBs
CAS: 119-67-5
PubChem: 5957
ChEBI: 17605
ChEMBL: CHEMBL234213
3DMET: B00532
NIKKAJI: J95.028I
KCF data

ATOM        11
            1   C8y C    28.0486  -19.8842
            2   C8y C    26.8141  -19.1797
            3   C8x C    28.0486  -21.3064
            4   C4a C    29.1932  -19.1797
            5   C8x C    25.5988  -19.8842
            6   C6a C    26.8075  -17.7065
            7   C8x C    26.8141  -22.0238
            8   C8x C    25.5988  -21.3064
            9   O6a O    28.0291  -17.0018
            10  O6a O    25.5859  -17.0083
            11  O4a O    30.4225  -19.8441
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    7   8 2
            11    4  11 2

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