CDK     1018121544

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.7708  -13.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792  -12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583  -13.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500  -12.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542  -13.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875  -13.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000  -11.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083  -12.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542  -11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833  -12.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708  -11.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792  -14.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208  -12.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292  -11.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833  -13.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042  -12.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208  -10.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958  -14.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375  -12.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750  -14.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  1  1  0  0  0  0 
  6  1  2  0  0  0  0 
  7  2  2  0  0  0  0 
  8  6  1  0  0  0  0 
  9  8  2  0  0  0  0 
 10  3  2  0  0  0  0 
 11  4  2  0  0  0  0 
 12 10  1  0  0  0  0 
 13 11  1  0  0  0  0 
 14  6  1  0  0  0  0 
 15  8  1  0  0  0  0 
 16  9  1  0  0  0  0 
 17 10  1  0  0  0  0 
 18 12  1  0  0  0  0 
 19  7  1  0  0  0  0 
 20 11  1  0  0  0  0 
 21 19  1  0  0  0  0 
 22 14  1  0  0  0  0 
 23 15  1  0  0  0  0 
 24 17  1  0  0  0  0 
  4  3  1  0  0  0  0 
  7  9  1  0  0  0  0 
 21 20  1  0  0  0  0 
 12 13  2  0  0  0  0 
M  END
> <ID>
CHEBI:70352

> <NAME>
Bussealin E

> <DEFINITION>
A natural product found in Bussea sakalava. 

> <STAR>
2

> <SYNONYM>
9,10-dihydro-2,7-dihydroxy-3,5,6-trimethoxy-8Hcyclohepta[klm]dibenzofuran

> <FORMULA>
C18H18O6

> <MASS>
330.33190

> <MONOISOTOPIC_MASS>
330.11034

> <CHARGE>
0

> <SMILES>
COc1c(O)c2CCCc3cc(O)c(OC)c4oc(c1OC)c2c34

> <INCHI>
InChI=1S/C18H18O6/c1-21-14-10(19)7-8-5-4-6-9-12-11(8)15(14)24-16(12)18(23-3)17(22-2)13(9)20/h7,19-20H,4-6H2,1-3H3

> <INCHIKEY>
FMAUKBYYDCNROF-UHFFFAOYSA-N

> <PUBMED_CITATION>
20942441

$$$$