KEGG   COMPOUND: C03057Help
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
Mol fileKCF fileDB search
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
LinkDB All DBs
KCF data Show

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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