CDK     1030232202

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.6583    0.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535    1.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967    1.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681    2.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    2.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340    3.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    2.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383    3.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994    3.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815    4.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    3.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
 16 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
  8 11  2  0  0  0  0 
 12 14  1  0  0  0  0 
 16 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:217967

> <NAME>
Alteryulactone

> <STAR>
2

> <IUPAC_NAME>
2,3,8,10-tetrahydroxy-5H-benzo[d][2]benzoxepin-7-one

> <FORMULA>
C14H10O6

> <MASS>
274.228

> <MONOISOTOPIC_MASS>
274.04774

> <CHARGE>
0

> <SMILES>
O=C1OCC=2C=C(O)C(=CC2C=3C1=C(O)C=C(O)C3)O

> <INCHI>
InChI=1S/C14H10O6/c15-7-2-9-8-4-11(17)10(16)1-6(8)5-20-14(19)13(9)12(18)3-7/h1-4,15-18H,5H2

> <INCHIKEY>
OXOMHQLEJGIXES-UHFFFAOYSA-N

$$$$