CDK     1030232203

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.0256    2.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861    1.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2666    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8187    0.4894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4462    1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236    2.0360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5645   -0.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    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
    5.7158    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.8875    0.0000 C   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 
  4  2  1  1  0  0  0 
  3  5  1  0  0  0  0 
  6  4  1  0  0  0  0 
  7  4  1  0  0  0  0 
  8  4  1  0  0  0  0 
  5  9  2  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  1  0  0  0 
  7 12  1  1  0  0  0 
 13  7  1  0  0  0  0 
  8 14  1  1  0  0  0 
 10 15  2  0  0  0  0 
 11 16  2  0  0  0  0 
 13 17  1  6  0  0  0 
 16 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
  5  8  1  0  0  0  0 
 13 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:226589

> <NAME>
Fusaspirol D

> <STAR>
2

> <IUPAC_NAME>
(4R,5R,6R,7R,10R)-4,6,7-trihydroxy-3-methylidene-10-[(1E,3E)-penta-1,3-dienyl]-2-oxaspiro[4.5]dec-8-en-1-one

> <FORMULA>
C15H18O5

> <MASS>
278.304

> <MONOISOTOPIC_MASS>
278.11542

> <CHARGE>
0

> <SMILES>
O=C1OC(=C)[C@@H]([C@]12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/C=C/C)O

> <INCHI>
InChI=1S/C15H18O5/c1-3-4-5-6-10-7-8-11(16)13(18)15(10)12(17)9(2)20-14(15)19/h3-8,10-13,16-18H,2H2,1H3/b4-3+,6-5+/t10-,11-,12+,13+,15+/m1/s1

> <INCHIKEY>
JGBMHPUTTBOQCU-IHGGTNIXSA-N

$$$$