Marvin  03041312252D          

 28 32  0  0  1  0            999 V2000
    0.1306    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -0.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5839   -0.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8451   -1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -0.1478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5839   -1.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5839    1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -1.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306   -1.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146   -0.8152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1146    0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983    0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128   -0.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5839    2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -0.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128    1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983    2.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128    2.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7273    0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    0.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995   -1.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -1.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -2.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    2.4848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 11  2  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
  6 23  1  1  0  0  0
 12 24  1  1  0  0  0
 25 26  1  0  0  0  0
 16 27  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
> <ID>
CHEBI:72679

> <NAME>
11-hydroxy-O-methyldihydrosterigmatocystin

> <DEFINITION>
A sterigmatocystin that is the 11-hydroxy-8-O-methyl derivative of dihydrosterigmatocystin.

> <STAR>
3

> <SYNONYM>
11-hydroxy-8-O-methyldihydrosterigmatocystin

> <IUPAC_NAME>
(3aR,12cS)-11-hydroxy-6,8-dimethoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

> <FORMULA>
C19H16O7

> <MASS>
356.32610

> <MONOISOTOPIC_MASS>
356.08960

> <CHARGE>
0

> <SMILES>
[H][C@]12OCC[C@@]1([H])c1c(O2)cc(OC)c2c1oc1c(O)ccc(OC)c1c2=O

> <INCHI>
InChI=1S/C19H16O7/c1-22-10-4-3-9(20)17-14(10)16(21)15-11(23-2)7-12-13(18(15)26-17)8-5-6-24-19(8)25-12/h3-4,7-8,19-20H,5-6H2,1-2H3/t8-,19+/m0/s1

> <INCHIKEY>
AIMJKFPGPQLJBZ-WPCRTTGESA-N

> <PUBMED_CITATION>
21153813

$$$$