24 26  0  0  0  0  0  0  0  0999 V2000
   24.1500  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -17.2900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.9600  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -15.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -18.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6000  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7700  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -18.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9600  -14.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3400  -14.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6000  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7900  -17.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7700  -15.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5100  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1500  -20.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6000  -20.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7900  -18.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9800  -16.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5100  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3200  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100  -21.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3200  -15.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4272  -22.8199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  5 11  2  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  2  0     0  0
  7 15  1  0     0  0
 11 16  1  0     0  0
 12 17  2  0     0  0
 13 18  1  0     0  0
 13 19  2  0     0  0
 14 20  1  0     0  0
 15 21  2  0     0  0
 16 22  2  0     0  0
 20 23  2  0     0  0
  9 14  1  0     0  0
 17 22  1  0     0  0
 21 23  1  0     0  0
 22 24  1  0     0  0
M  END
> <ID>
CHEBI:80741

> <NAME>
Coumachlor

> <STAR>
2

> <FORMULA>
C19H15ClO4

> <MASS>
342.77300

> <MONOISOTOPIC_MASS>
342.06589

> <CHARGE>
0

> <SMILES>
CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O

> <INCHI>
InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3

> <INCHIKEY>
DEKWZWCFHUABHE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
81-82-3

> <KEGG_COMPOUND_ACCESSION>
C16805

$$$$