5319509
  CDK     0602212312

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.1423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    1.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -1.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 12  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  9  2  0  0  0  0 
  4 13  1  0  0  0  0 
  5 17  1  0  0  0  0 
  5 22  1  0  0  0  0 
  6 21  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 11 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 18  1  0  0  0  0 
 14 17  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  2  0  0  0  0 
 17 18  2  0  0  0  0 
 19 21  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:174885

> <NAME>
Folerogenin

> <STAR>
2

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

> <FORMULA>
C16H14O6

> <MASS>
302.282

> <MONOISOTOPIC_MASS>
302.07904

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3

> <INCHIKEY>
LZLGHWHSUZVUFZ-UHFFFAOYSA-N

$$$$