44446832
  CDK     1019211605

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.5623   -0.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913    1.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    1.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -0.2162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2768    0.6088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5623    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    0.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479   -0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    1.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104   -0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058   -0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629    0.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -0.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058   -1.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202   -1.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6531    1.8662    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 
  7  2  1  6  0  0  0 
  3  8  2  0  0  0  0 
  4 16  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 10  1  1  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 10 14  2  0  0  0  0 
 10 15  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  2  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:182724

> <NAME>
7-Hydroxy-6-methoxydihydroflavonol

> <STAR>
2

> <IUPAC_NAME>
(2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.283

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@@H](O)C(=O)C=2C1=CC(O)=C(OC)C2)C3=CC=CC=C3

> <INCHI>
InChI=1S/C16H14O5/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,15-17,19H,1H3/t15-,16+/m0/s1

> <INCHIKEY>
GUMFPOIJOXLCLA-JKSUJKDBSA-N

$$$$