Ketcher 11021615512D 1   1.00000     0.00000     0

 21 23  0     0  0            999 V2000
   -4.2870    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261    1.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1478    1.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1478    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    1.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5652    0.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651    3.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    4.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434    3.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434    2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    5.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8434    0.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0086    0.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    3.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2900    4.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9749   -0.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0     0  0
  2  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 12 15  1  0     0  0
  9 16  1  0     0  0
  5 17  1  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
 14 20  2  0     0  0
 17 21  1  0     0  0
M  END
> <ID>
CHEBI:133814

> <NAME>
flavasperone

> <DEFINITION>
A naphtho-γ-pyrone that is 4H-naphtho[1,2-b]pyran-4-one carrying a methyl substituent at position2, a hydroxy substituent at position 5 and two methoxy substotuents at positions 8 and 10. Originally isolated from Aspergillus niger.

> <STAR>
3

> <SYNONYM>
TMC 256c2; asperxanthone; Asperxanthon; Antibiotic TMC 256c2

> <IUPAC_NAME>
5-hydroxy-8,10-dimethoxy-2-methyl-4H-naphtho[1,2-b]pyran-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.280

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
C=1(C=2C(C=C(C1)OC)=CC(=C3C2OC(=CC3=O)C)O)OC

> <INCHI>
InChI=1S/C16H14O5/c1-8-4-11(17)15-12(18)6-9-5-10(19-2)7-13(20-3)14(9)16(15)21-8/h4-7,18H,1-3H3

> <INCHIKEY>
ARXPDHLVDOYIPX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3566-99-2

> <REAXYS_REGISTRY_NUMBER>
280885

> <CHEMIDPLUS>
3566-99-2

> <PUBMED_CITATION>
18205129; 18823067; 19160525; 21652743; 25809933; 26669099; 6548104

$$$$