CDK     1030232202

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.0733   -4.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -3.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727   -2.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -3.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -2.6420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0531   -3.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4336   -4.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -1.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587   -2.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -1.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0455   -3.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  1  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
  5  6  1  0  0  0  0 
 10 12  2  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:221386

> <NAME>
Nidulal

> <STAR>
2

> <IUPAC_NAME>
4-(3-methyl-2,9-dioxo-1,6-dioxaspiro[4.4]nona-3,7-dien-8-yl)cyclohexane-1-carbaldehyde

> <FORMULA>
C15H16O5

> <MASS>
276.288

> <MONOISOTOPIC_MASS>
276.09977

> <CHARGE>
0

> <SMILES>
O=C1O[C@@]2(OC=C(C2=O)C3CCC(C=O)CC3)C=C1C

> <INCHI>
InChI=1S/C15H16O5/c1-9-6-15(20-14(9)18)13(17)12(8-19-15)11-4-2-10(7-16)3-5-11/h6-8,10-11H,2-5H2,1H3/t10?,11?,15-/m0/s1

> <INCHIKEY>
NQSKLGFKNUGTFE-NWHVRFAMSA-N

$$$$