Mrv0541 06031417092D          

 24 26  0  0  0  0            999 V2000
    4.2336    0.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0847   -2.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6505   -1.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701    0.1807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2289   -3.4864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719    1.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -1.2712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4803   -1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7681   -1.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3775   -2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211   -0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8624   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546   -1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0546   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6969   -2.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814    0.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4843   -2.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  6  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 17  2  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <ID>
CHEBI:78696

> <NAME>
cercosporamide

> <DEFINITION>
A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.

> <STAR>
3

> <IUPAC_NAME>
(9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide

> <FORMULA>
C16H13NO7

> <MASS>
331.27690

> <MONOISOTOPIC_MASS>
331.06920

> <CHARGE>
0

> <SMILES>
CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O

> <INCHI>
InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1

> <INCHIKEY>
GEWLYFZWVLXQME-MRXNPFEDSA-N

> <CAS_REGISTRY_NUMBER>
131436-22-1

> <REAXYS_REGISTRY_NUMBER>
5485233

> <CHEMIDPLUS>
131436-22-1

> <PUBMED_CITATION>
15302826; 21814808; 23509154; 8289782

$$$$