Ketcher 11221814522D 1   1.00000     0.00000     0

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  1  2  2  0     0  0
  1  6  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  7  8  2  0     0  0
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  7 10  1  0     0  0
  8  1  1  0     0  0
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  9  6  1  0     0  0
  5 11  1  0     0  0
  4 14  1  0     0  0
  2 15  1  0     0  0
  8 16  1  0     0  0
  7 17  1  0     0  0
 10 18  2  0     0  0
 13 19  1  0     0  0
 11 20  1  0     0  0
M  END
> <ID>
CHEBI:142620

> <NAME>
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one

> <DEFINITION>
A carbotricyclic compound that is funalenone in which the methoxy group at position 2 has been demethylated to the corresponding hydroxy derivative.

> <STAR>
3

> <IUPAC_NAME>
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one

> <FORMULA>
C14H10O6

> <MASS>
274.226

> <MONOISOTOPIC_MASS>
274.04774

> <CHARGE>
0

> <SMILES>
C12=C(C=C(C3=C1C(C(C(=C2O)O)=O)=C(C=C3O)O)C)O

> <INCHI>
InChI=1S/C14H10O6/c1-4-2-5(15)9-11-8(4)6(16)3-7(17)10(11)13(19)14(20)12(9)18/h2-3,15-18,20H,1H3

> <INCHIKEY>
WKCIPEFSZITGMF-UHFFFAOYSA-N

> <PUBMED_CITATION>
26978228

$$$$