13888646
  CDK     0910211423

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.2453   -0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358    1.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -0.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2453    0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4218   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026   -1.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4154   -1.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1315   -1.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
  5 21  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 11 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 14  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:178312

> <NAME>
5,8-Dihydroxy-7-methoxyflavanone

> <STAR>
2

> <IUPAC_NAME>
5,8-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.283

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
O1C(CC(=O)C2=C1C(O)=C(OC)C=C2O)C3=CC=CC=C3

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

> <INCHIKEY>
AIUFGSSCCIXONA-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140663

$$$$