695634
  CDK     0118231206

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.7935    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2  9  2  0  0  0  0 
  3 15  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 14  2  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  2  0  0  0  0 
 10 13  2  0  0  0  0 
 11 15  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:194287

> <NAME>
2-[2-oxo-2-(pyridin-3-ylamino)ethoxy]acetic acid

> <STAR>
2

> <IUPAC_NAME>
2-[2-oxo-2-(pyridin-3-ylamino)ethoxy]acetic acid

> <FORMULA>
C9H10N2O4

> <MASS>
210.189

> <MONOISOTOPIC_MASS>
210.06406

> <CHARGE>
0

> <SMILES>
O(CC(=O)NC=1C=CC=NC1)CC(O)=O

> <INCHI>
InChI=1S/C9H10N2O4/c12-8(5-15-6-9(13)14)11-7-2-1-3-10-4-7/h1-4H,5-6H2,(H,11,12)(H,13,14)

> <INCHIKEY>
MKQGEKYXPVAARY-UHFFFAOYSA-N

$$$$