CDK     1030232201

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.8007    0.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6077    0.9920    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
    1.4682   -0.3356    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0202    0.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -1.1494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8437    0.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287   -1.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3239   -1.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3186   -0.4464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3386    0.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.2383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1070   -0.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1193    0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7004   -1.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7671   -0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9410    0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661    1.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  4  1  6  0  0  0 
  5  2  1  0  0  0  0 
  3  6  1  0  0  0  0 
  7  5  1  0  0  0  0 
  6  8  2  0  0  0  0 
  7  9  1  1  0  0  0 
  7 10  1  0  0  0  0 
 11  8  1  1  0  0  0 
  8 12  1  0  0  0  0 
 13 10  1  0  0  0  0 
 14 11  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  1  0  0  0 
 14 17  1  1  0  0  0 
 15 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  5  6  1  6  0  0  0 
 11 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:213100

> <NAME>
Cladophyllol

> <STAR>
2

> <IUPAC_NAME>
(3R,3aR,4R,6S,6aS,7S)-6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydro-1H-azuleno[4,5-c]uran-3,4,7-triol

> <FORMULA>
C15H24O4

> <MASS>
268.353

> <MONOISOTOPIC_MASS>
268.16746

> <CHARGE>
0

> <SMILES>
O1[C@@H](O)[C@H]2[C@H](O)C[C@H](C)[C@H]3C(=C2C1)CC(C)(C)[C@H]3O

> <INCHI>
InChI=1S/C15H24O4/c1-7-4-10(16)12-9(6-19-14(12)18)8-5-15(2,3)13(17)11(7)8/h7,10-14,16-18H,4-6H2,1-3H3/t7-,10+,11-,12+,13-,14+/m0/s1

> <INCHIKEY>
SNMKDJCTWGUKRU-OIMJEQPZSA-N

$$$$