38357975
  CDK     1019211605

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.9508   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.7466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6654   -0.0784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9508    1.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.4909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4028    1.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.0784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2364    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3933   -1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2753    0.2675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0 
  2 17  1  0  0  0  0 
  3 17  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4 13  1  6  0  0  0 
  5  7  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 19  1  1  0  0  0 
  6 10  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 15  1  6  0  0  0 
 11 14  1  0  0  0  0 
 11 16  2  0  0  0  0 
 12 14  1  0  0  0  0 
 15 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
M  END
> <ID>
CHEBI:182783

> <NAME>
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

> <STAR>
2

> <IUPAC_NAME>
2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

> <FORMULA>
C15H22O3

> <MASS>
250.338

> <MONOISOTOPIC_MASS>
250.15689

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@]2([C@@](CC[C@H]1C(C(O)=O)=C)(CCCC2=C)C)[H]

> <INCHI>
InChI=1S/C15H22O3/c1-9-5-4-7-15(3)8-6-11(10(2)14(17)18)13(16)12(9)15/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,13-,15+/m0/s1

> <INCHIKEY>
QTSQCCVLTMKKDP-SFDCQRBFSA-N

$$$$