85982833
  CDK     0602212311

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.9599   -1.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202   -1.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599    0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 16  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4 16  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7 10  1  0  0  0  0 
  7 13  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 11  2  0  0  0  0 
 12 14  2  0  0  0  0 
 13 15  2  0  0  0  0 
 14 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:174409

> <NAME>
Apigravin

> <STAR>
2

> <IUPAC_NAME>
7-hydroxy-8-methoxy-6-(3-methylbut-2-enyl)chromen-2-one

> <FORMULA>
C15H16O4

> <MASS>
260.289

> <MONOISOTOPIC_MASS>
260.10486

> <CHARGE>
0

> <SMILES>
O1C=2C(=CC(CC=C(C)C)=C(O)C2OC)C=CC1=O

> <INCHI>
InChI=1S/C15H16O4/c1-9(2)4-5-10-8-11-6-7-12(16)19-14(11)15(18-3)13(10)17/h4,6-8,17H,5H2,1-3H3

> <INCHIKEY>
NYTURSQQJRVHPG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
72963-64-5

> <CHEMIDPLUS>
72963-64-5

$$$$