Marvin  06041312582D          

 11 11  0  0  0  0            999 V2000
   16.7646  -14.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7646  -15.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1935  -15.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1935  -14.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4791  -15.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4791  -14.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9080  -14.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6225  -14.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9080  -13.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9079  -15.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0501  -15.7476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  4  3  2  0  0  0  0
  7  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  2  2  0  0  0  0
  1  6  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <ID>
CHEBI:27565

> <NAME>
4-aminosalicylic acid

> <DEFINITION>
An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41152; CHEBI:1789; CHEBI:20320

> <SYNONYM>
PAS; Para-amino salicylic acid; p-aminosalicylic acid; Aminosalicylic acid; 4-Aminosalicylic acid; 4-Aminosalicylate; 2-HYDROXY-4-AMINOBENZOIC ACID

> <IUPAC_NAME>
4-amino-2-hydroxybenzoic acid

> <BRAND_NAME>
Paser

> <FORMULA>
C7H7NO3

> <MASS>
153.13540

> <MONOISOTOPIC_MASS>
153.04259

> <CHARGE>
0

> <SMILES>
Nc1ccc(C(O)=O)c(O)c1

> <INCHI>
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

> <INCHIKEY>
WUBBRNOQWQTFEX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
473071

> <CAS_REGISTRY_NUMBER>
65-49-6

> <GMELIN_REGISTRY_NUMBER>
306153

> <REAXYS_REGISTRY_NUMBER>
473071

> <CHEMIDPLUS>
65-49-6

> <DRUGBANK_ACCESSION>
DB00233

> <KEGG_COMPOUND_ACCESSION>
C02518

> <KEGG_DRUG_ACCESSION>
D00162

> <LINCS_ACCESSION>
LSM-5862

> <NIST_CHEMISTRY_WEBBOOK>
65-49-6

> <PDBECHEM_ACCESSION>
BHA

> <WIKIPEDIA_ACCESSION>
Aminosalicylic_Acid

> <PUBMED_CITATION>
11621575; 1650428; 23118010; 24663015; 25050392; 25421465; 25605031; 25963985; 26004847; 26033719; 26277036; 26596566; 26848874; 27021327; 27491492; 27617928; 27671064; 28011126; 28223391; 28394286; 28408267; 28567674; 28651968; 28717039; 28812999

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