null
  CDK     0224162204
null
 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7929   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184   -1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678   -1.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -1.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411   -2.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5156   -1.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666   -3.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9427   -3.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5682   -4.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7444   -4.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950   -3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695   -2.6679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711   -3.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0217   -2.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962   -2.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468   -1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230   -1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7485   -2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234   -3.5327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -2.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3213   -0.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2201   -1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903   -2.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946   -1.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  4  1  0  0  0  0 
  7  5  1  4  0  0  0 
  7  8  2  0  0  0  0 
  9  8  1  4  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 19 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 25  2  1  0  0  0  0 
M  END
> <ID>
CHEBI:95163

> <NAME>
LSM-6437

> <STAR>
2

> <FORMULA>
C18H17ClO6

> <MASS>
364.778

> <MONOISOTOPIC_MASS>
364.07137

> <CHARGE>
0

> <SMILES>
CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1

> <INCHI>
InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3

> <INCHIKEY>
WYZWZEOGROVVHK-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-6437

$$$$