14433059
  CDK     0602212311

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.5443   -0.7608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131   -1.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   -1.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    0.1260    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2470    0.5385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8181    0.5385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1063    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -0.6248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3600   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -0.0119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2470    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4411   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9108   -0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    1.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863    1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8783    0.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402    1.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391    1.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181   -0.1628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6231   -0.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 17  1  0  0  0  0 
  9  3  1  6  0  0  0 
  4 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  1  0  0  0 
  6  8  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 20  1  6  0  0  0 
  7 11  1  0  0  0  0 
  7 14  1  0  0  0  0 
  7 21  1  6  0  0  0 
  8 13  1  0  0  0  0 
  8 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  9 15  1  0  0  0  0 
 11 22  1  6  0  0  0 
 12 16  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:174501

> <NAME>
1alpha,15-Dihydroxymarasmene

> <STAR>
2

> <IUPAC_NAME>
(1R,2S,6S,12R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol

> <FORMULA>
C15H22O4

> <MASS>
266.337

> <MONOISOTOPIC_MASS>
266.15181

> <CHARGE>
0

> <SMILES>
O1C(O)[C@@]23[C@](C(CC[C@@H]2O)(C)C)(CC=C4[C@@]3([C@@]1(OC4)[H])[H])[H]

> <INCHI>
InChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11+,12+,13?,15-/m0/s1

> <INCHIKEY>
HLFAYJASJWZZCH-USBNRDFKSA-N

$$$$