Mrv0541 01131510482D          

 13 13  0  0  0  0            999 V2000
   12.2841   -7.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2851   -6.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5705   -7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9986   -7.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0005   -5.8904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5706   -5.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   -8.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0024   -8.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7193   -6.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2823   -8.7805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4309   -5.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1444   -6.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4289   -5.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
  1  3  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <ID>
CHEBI:5958

> <NAME>
Iproniazid

> <STAR>
2

> <SYNONYM>
marsilid; iproniazide phosphate; iproniazide; iproniazid phosphate; Iproniazid; iprazide; iprazid; euphozid

> <FORMULA>
C9H13N3O; C9H13N3O

> <MASS>
179.21900

> <MONOISOTOPIC_MASS>
179.10586

> <CHARGE>
0

> <SMILES>
CC(C)NNC(=O)c1ccncc1

> <INCHI>
InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)

> <INCHIKEY>
NYMGNSNKLVNMIA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
54-92-2

> <KEGG_COMPOUND_ACCESSION>
C11777

> <KEGG_DRUG_ACCESSION>
D02579

> <LINCS_ACCESSION>
LSM-5940

$$$$