131751609
  CDK     0602212312

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.9058    2.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    3.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7147   -1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6955   -3.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577    1.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953    0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    0.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953    2.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    1.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577    0.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427    1.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427    0.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5857   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    2.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    2.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953   -0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2858   -1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954   -1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666   -1.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9859   -2.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0 
  2 18  2  0  0  0  0 
  3 22  1  0  0  0  0 
  4 24  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 13  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 17  1  0  0  0  0 
  7 18  1  0  0  0  0 
  8 15  1  0  0  0  0 
  8 16  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 12  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 20  2  0  0  0  0 
 16 19  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:175294

> <NAME>
(14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid

> <STAR>
2

> <IUPAC_NAME>
5-(4,5-dihydroxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

> <FORMULA>
C20H32O4

> <MASS>
336.472

> <MONOISOTOPIC_MASS>
336.23006

> <CHARGE>
0

> <SMILES>
OC(=O)C1(C2C(C(C(CC2)=C)CCC(C(O)CO)=C)(CCC1)C)C

> <INCHI>
InChI=1S/C20H32O4/c1-13-7-9-17-19(3,10-5-11-20(17,4)18(23)24)15(13)8-6-14(2)16(22)12-21/h15-17,21-22H,1-2,5-12H2,3-4H3,(H,23,24)

> <INCHIKEY>
SHHPWUDUFQJUTF-UHFFFAOYSA-N

$$$$