Ketcher 10171816332D 1   1.00000     0.00000     0

 23 25  0     0  0            999 V2000
   -2.2625    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965    1.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3356    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5304    3.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2016    3.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3965   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14  8  1  0     0  0
  9 15  2  0     0  0
 12 16  1  0     0  0
 14 17  1  0     0  0
  5 18  1  0     0  0
  6 19  2  0     0  0
  1 20  1  0     0  0
 18 21  1  0     0  0
 16 22  1  0     0  0
  3 23  1  0     0  0
M  END
> <ID>
CHEBI:141337

> <NAME>
botrallin

> <DEFINITION>
An organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species.

> <STAR>
3

> <SYNONYM>
botrallin; 1,7-dihydroxy-3,9-dimethoxy-4a-methylbenzo[c][1]benzopyran-2,6-dione

> <IUPAC_NAME>
1,7-dihydroxy-3,9-dimethoxy-4a-methyl-4aH-benzo[c]chromene-2,6-dione

> <FORMULA>
C16H14O7

> <MASS>
318.279

> <MONOISOTOPIC_MASS>
318.07395

> <CHARGE>
0

> <SMILES>
C1(=C2C(C=C(C1=O)OC)(OC(C3=C2C=C(C=C3O)OC)=O)C)O

> <INCHI>
InChI=1S/C16H14O7/c1-16-6-10(22-3)13(18)14(19)12(16)8-4-7(21-2)5-9(17)11(8)15(20)23-16/h4-6,17,19H,1-3H3

> <INCHIKEY>
WNZWXVOIYRJRSM-UHFFFAOYSA-N

> <AGRICOLA_CITATION>
IND600803096; IND605571799

> <PUBMED_CITATION>
23011274; 24898177; 25211003

$$$$