18 17  0  0  0  0  0  0  0  0999 V2000
   19.4210  -17.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6303  -18.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4210  -16.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2117  -18.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8454  -17.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6244  -20.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2117  -15.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9967  -17.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0606  -18.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9967  -16.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2757  -17.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7757  -15.8397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4909  -18.6205    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   26.6942  -17.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4909  -20.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9093  -18.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6942  -20.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4040  -20.5309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
  8 10  2  0     0  0
M  END
> <ID>
CHEBI:8431

> <NAME>
Procaine hydrochloride

> <STAR>
2

> <SYNONYM>
Procaine hydrochloride; Novocain (TN)

> <FORMULA>
C13H20N2O2.HCl

> <MASS>
272.770

> <MONOISOTOPIC_MASS>
272.12916

> <CHARGE>
0

> <SMILES>
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1

> <INCHI>
InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H

> <INCHIKEY>
HCBIBCJNVBAKAB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51-05-8

> <KEGG_COMPOUND_ACCESSION>
C07894

> <KEGG_DRUG_ACCESSION>
D00740

$$$$