67233966
  CDK     0409211651

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.2784   -0.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073    1.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8360    2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8508   -1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -2.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9929    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2784    1.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4219   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5652   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 18  1  0  0  0  0 
  4 22  1  0  0  0  0 
  5 21  1  0  0  0  0 
  5 23  1  0  0  0  0 
  6 19  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 13  2  0  0  0  0 
 11 14  2  0  0  0  0 
 12 15  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  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:168455

> <NAME>
4',7-Di-O-methylcatechin

> <STAR>
2

> <IUPAC_NAME>
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,5-diol

> <FORMULA>
C17H18O6

> <MASS>
318.325

> <MONOISOTOPIC_MASS>
318.11034

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C17H18O6/c1-21-10-6-12(18)11-8-14(20)17(23-16(11)7-10)9-3-4-15(22-2)13(19)5-9/h3-7,14,17-20H,8H2,1-2H3

> <INCHIKEY>
MWTVZZZJXLZCEN-UHFFFAOYSA-N

$$$$