Ketcher 01211916582D 1   1.00000     0.00000     0

 15 15  0     0  0            999 V2000
   -0.4330   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  3  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
 10 14  1  0     0  0
 14 15  2  0     0  0
  2 15  1  0     0  0
M  END
> <ID>
CHEBI:142394

> <NAME>
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid

> <DEFINITION>
A monohydroxybenzoic acid that is 3-amino-4-hydroxybenzoic acid in which one of the hydrogens attached to the amino group has been replaced by a 3-aminopropyl group. Derivative of aminohydroxybenzoic acid, a novel and abundant metabolite found in Acinetobacter baylyi ADP1 grown on quinate carbon source.

> <STAR>
3

> <SYNONYM>
APAH; 3-((3-aminopropyl)amino)-4-hydroxybenzoic acid

> <IUPAC_NAME>
3-[(3-aminopropyl)amino]-4-hydroxybenzoic acid

> <FORMULA>
C10H14N2O3

> <MASS>
210.230

> <MONOISOTOPIC_MASS>
210.10044

> <CHARGE>
0

> <SMILES>
OC1=C(NCCCN)C=C(C(O)=O)C=C1

> <INCHI>
InChI=1S/C10H14N2O3/c11-4-1-5-12-8-6-7(10(14)15)2-3-9(8)13/h2-3,6,12-13H,1,4-5,11H2,(H,14,15)

> <INCHIKEY>
WASZXVMLVDQNDE-UHFFFAOYSA-N

> <PUBMED_CITATION>
30874951

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