Marvin  08130814412D          

 15 14  0  0  0  0            999 V2000
    3.5724   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.2249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 15  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5 12  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  8  6  1  0  0  0  0
  3  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 10  1  0  0  0  0
 11  2  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:50443

> <NAME>
N-(3-carboxypropanoyl)-N-hydroxycadaverine

> <STAR>
3

> <SYNONYM>
N-hydroxy-N-succinylcadaverine; HSC

> <IUPAC_NAME>
4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid

> <FORMULA>
C9H18N2O4

> <MASS>
218.25030

> <MONOISOTOPIC_MASS>
218.12666

> <CHARGE>
0

> <SMILES>
NCCCCCN(O)C(=O)CCC(O)=O

> <INCHI>
InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14)

> <INCHIKEY>
VUXMGAKZQBQIAH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5865747

$$$$