null
  CDK     0224162156
null
 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0755    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6630    2.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    2.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    2.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    2.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    3.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    5.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    3.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    2.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.8033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    3.6612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    4.3756    0.0000 C   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  5  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  4 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:93413

> <NAME>
LSM-3804

> <STAR>
2

> <FORMULA>
C20H20O7

> <MASS>
372.369

> <MONOISOTOPIC_MASS>
372.12090

> <CHARGE>
0

> <SMILES>
COC1=C(C2=C(C=C1)C(=O)C3=CC(=C(C=C3CC(=O)CO2)OC)OC)OC

> <INCHI>
InChI=1S/C20H20O7/c1-23-15-6-5-13-18(22)14-9-17(25-3)16(24-2)8-11(14)7-12(21)10-27-19(13)20(15)26-4/h5-6,8-9H,7,10H2,1-4H3

> <INCHIKEY>
OAQFLNPTAZZENS-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-3804

$$$$