17 17  0  0  0  0  0  0  0  0999 V2000
   15.1900  -17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1900  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4024  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6149  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6149  -17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4024  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8524  -16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0649  -17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2773  -16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4897  -17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8460  -19.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8460  -21.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6265  -21.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0417  -21.7013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0649  -18.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2383  -21.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4177  -21.0174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  4 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
  8 15  2  0     0  0
 14 16  1  0     0  0
 13 17  1  0     0  0
M  END
> <ID>
CHEBI:82091

> <NAME>
Cloethocarb

> <STAR>
2

> <FORMULA>
C11H14ClNO4

> <MASS>
259.68600

> <MONOISOTOPIC_MASS>
259.06114

> <CHARGE>
0

> <SMILES>
CNC(=O)Oc1ccccc1OC(CCl)OC

> <INCHI>
InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)

> <INCHIKEY>
PITWUHDDNUVBPT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51487-69-5

> <KEGG_COMPOUND_ACCESSION>
C18951

$$$$