Ketcher 06062214532D 1   1.00000     0.00000     0

 23 25  0     1  0            999 V2000
    9.6975   -8.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975   -9.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4295   -8.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5635  -10.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0993  -10.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2333   -9.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0     0  0
  2  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
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  1  2  1  0     0  0
  2  9  1  0     0  0
  8 10  1  0     0  0
  9 10  1  0     0  0
  3 11  1  0     0  0
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 11 13  1  0     0  0
 13 14  1  0     0  0
  7 15  1  0     0  0
  7  8  2  0     0  0
 15 16  1  0     0  0
  8 17  1  0     0  0
 16 18  1  0     0  0
 17 18  1  0     0  0
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 17 20  2  0     0  0
  4 21  1  0     0  0
  6 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <ID>
CHEBI:192286

> <NAME>
ascomycotin A

> <DEFINITION>
An organic heterotricyclic compound that is 3,4-dihydro-2H,5H-pyrano[3,2-c]chromene substituted by methyl, oxo, hydroxy, methoxy and methoxycarbonyl groups at positions 2R, 4, 7, 8 and 10, respectively. It is isolated from the fungal strain Ascomycota sp. Ind19F07, which was isolated from the deep sea sediment of the Indian Ocean.

> <STAR>
3

> <SYNONYM>
methyl (2R)-7-hydroxy-8-methoxy-2-methyl-4-oxo-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-10-carboxylate

> <IUPAC_NAME>
methyl (2R)-7-hydroxy-8-methoxy-2-methyl-4-oxo-3,4-dihydro-2H,5H-pyrano[3,2-c]chromene-10-carboxylate

> <FORMULA>
C16H16O7

> <MASS>
320.297

> <MONOISOTOPIC_MASS>
320.08960

> <CHARGE>
0

> <SMILES>
COC(=O)C1=C2C(OCC3=C2O[C@H](C)CC3=O)=C(O)C(OC)=C1

> <INCHI>
InChI=1S/C16H16O7/c1-7-4-10(17)9-6-22-15-12(14(9)23-7)8(16(19)21-3)5-11(20-2)13(15)18/h5,7,18H,4,6H2,1-3H3/t7-/m1/s1

> <INCHIKEY>
VAHJXVKDXVRZAF-SSDOTTSWSA-N

> <PUBMED_CITATION>
25537370; 29867059

$$$$