5118250
  CDK     0930221742

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.0063   -0.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    1.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787   -2.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -0.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -0.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2931   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3 12  1  0  0  0  0 
  4 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
  5 17  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 13  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 15  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13 18  1  0  0  0  0 
 14 19  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 17  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:193496

> <NAME>
5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <STAR>
2

> <IUPAC_NAME>
5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.283

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
O1C(CC(=O)C=2C1=CC(O)=CC2O)C3=CC=C(OC)C=C3

> <INCHI>
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3

> <INCHIKEY>
HMUJXQRRKBLVOO-UHFFFAOYSA-N

$$$$