CDK    9/10/12,15:49

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.1875  -11.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4750  -11.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4750  -12.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1875  -12.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042  -11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1875  -10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7583  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7625  -12.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0500  -11.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0458  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4792   -9.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4750   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1917   -8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6167  -12.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042   -9.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3333  -11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7583   -8.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3333  -12.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1917   -7.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6208  -12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9042   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  1  1  0  0  0  0 
  8  2  2  0  0  0  0 
  9  3  2  0  0  0  0 
 10  8  1  0  0  0  0 
 11  9  1  0  0  0  0 
 12  7  1  0  0  0  0 
 13 12  2  0  0  0  0 
 14 13  1  0  0  0  0 
 15  5  2  0  0  0  0 
 16  7  2  0  0  0  0 
 17 16  1  0  0  0  0 
 18 10  1  0  0  0  0 
 19 13  1  0  0  0  0 
 20 11  1  0  0  0  0 
 21 14  1  0  0  0  0 
 22 20  1  0  0  0  0 
 23 21  1  0  0  0  0 
  4  3  1  0  0  0  0 
 14 17  2  0  0  0  0 
 11 10  2  0  0  0  0 
M  END
> <ID>
CHEBI:67395

> <NAME>
melannein

> <DEFINITION>
A natural product found in Pterocarpus santalinus. 

> <STAR>
2

> <SYNONYM>
6-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-2-one

> <FORMULA>
C17H14O6

> <MASS>
314.28950

> <MONOISOTOPIC_MASS>
314.07904

> <CHARGE>
0

> <SMILES>
COc1ccc(cc1O)-c1cc(=O)oc2cc(OC)c(O)cc12

> <INCHI>
InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)10-7-17(20)23-15-8-16(22-2)13(19)6-11(10)15/h3-8,18-19H,1-2H3

> <INCHIKEY>
XZOXEPMJIGHPMG-UHFFFAOYSA-N

> <PUBMED_CITATION>
21488654

$$$$