CDK     1030232201

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.8932   -2.8334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -2.1190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3057   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432   -2.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -0.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7537   -0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2577   -0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2577   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307    0.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8451   -0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919   -0.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -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 
  4  2  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  1  0  0  0 
  9  5  1  0  0  0  0 
  5 10  1  0  0  0  0 
 11  6  1  0  0  0  0 
  7 12  1  0  0  0  0 
  7 13  1  0  0  0  0 
  9 14  1  6  0  0  0 
  9 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
 11 17  1  6  0  0  0 
 16 18  1  0  0  0  0 
  7  9  1  0  0  0  0 
 10 11  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:211716

> <NAME>
Illudin I2

> <STAR>
2

> <IUPAC_NAME>
(2R,5S,7S)-7-hydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[3,5-dihydro-1H-indene-6,1'-cyclopropane]-4-one

> <FORMULA>
C15H22O3

> <MASS>
250.338

> <MONOISOTOPIC_MASS>
250.15689

> <CHARGE>
0

> <SMILES>
O=C1C2=C([C@](O)(C)C3([C@@H]1C)CC3)C[C@](C2)(CO)C

> <INCHI>
InChI=1S/C15H22O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h9,16,18H,4-8H2,1-3H3/t9-,13+,14-/m1/s1

> <INCHIKEY>
YGFFPRMOBZCYOE-BIGNPOOSSA-N

$$$$