Mrv0541 07151409512D          

 25 27  0  0  0  0            999 V2000
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   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
  2  1  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  1  4  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 25  2  0  0  0  0
 17 24  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <ID>
CHEBI:38319

> <NAME>
usnic acid

> <DEFINITION>
A member of the class of  dibenzofurans that is dibenzo[b,d]furan-1(9bH)-one substituted by acetyl groups at positions 2 and 6, hydroxy groups at positions 3 and 7 and methyl groups at positions 8 and 9b.

> <STAR>
3

> <SYNONYM>
Usninsaeure; usninic acid; usniacin; usnein

> <IUPAC_NAME>
2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one

> <FORMULA>
C18H16O7

> <MASS>
344.31540

> <MONOISOTOPIC_MASS>
344.08960

> <CHARGE>
0

> <SMILES>
CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)C2(C)C1=O

> <INCHI>
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3

> <INCHIKEY>
WEYVVCKOOFYHRW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
96699

> <CAS_REGISTRY_NUMBER>
125-46-2

> <REAXYS_REGISTRY_NUMBER>
96699

> <CHEMIDPLUS>
125-46-2

> <WIKIPEDIA_ACCESSION>
Usnic_acid

> <PUBMED_CITATION>
11034349; 18887895; 19034791; 19349177; 20379653; 24770718

$$$$