CDK     1030232203

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.2306   -0.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8690    0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    0.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    1.3589    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
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1565    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497    1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    1.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622    2.1022    0.0000 C   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
    2.0205    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7985   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724    1.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849    2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 O   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
    6.3371    0.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1598    0.9239    0.0000 C   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 
  3  6  2  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  7 14  1  0  0  0  0 
  8 15  2  0  0  0  0 
  9 16  1  0  0  0  0 
  9 17  1  0  0  0  0 
 10 18  2  0  0  0  0 
 10 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 13 21  2  0  0  0  0 
 17 22  2  0  0  0  0 
 20 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 19  2  0  0  0  0 
 15 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:226358

> <NAME>
1-hydroxy-9-methoxy-3-methyl-8H-naphtho[2,1-c][2]benzoxepin-13-one

> <STAR>
2

> <IUPAC_NAME>
1-hydroxy-9-methoxy-3-methyl-8H-naphtho[2,1-c][2]benzoxepin-13-one

> <FORMULA>
C20H16O4

> <MASS>
320.344

> <MONOISOTOPIC_MASS>
320.10486

> <CHARGE>
0

> <SMILES>
O=C1C=2C3=C(O)C=C(C)C=C3C=CC2OCC4=C1C=CC=C4OC

> <INCHI>
InChI=1S/C20H16O4/c1-11-8-12-6-7-17-19(18(12)15(21)9-11)20(22)13-4-3-5-16(23-2)14(13)10-24-17/h3-9,21H,10H2,1-2H3

> <INCHIKEY>
KHZDBDLMYLWHPQ-UHFFFAOYSA-N

$$$$