74413650
  CDK     0602212311

 23 27  0  0  0  0  0  0  0  0999 V2000
    4.9527    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1272    0.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859    1.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5355    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9938   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -1.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3199   -0.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6476    0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688   -1.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1435   -0.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235   -1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -1.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -2.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5172   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6564   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7227   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    0.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0264   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4789   -1.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 19  2  0  0  0  0 
  3 20  1  0  0  0  0 
  4 20  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 14  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 17  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 20  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 18  1  0  0  0  0 
 11 19  1  0  0  0  0 
 11 21  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 15  1  0  0  0  0 
 16 23  2  0  0  0  0 
 17 22  2  0  0  0  0 
 18 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:174282

> <NAME>
Gibberellin A120

> <STAR>
2

> <IUPAC_NAME>
11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

> <FORMULA>
C19H22O4

> <MASS>
314.381

> <MONOISOTOPIC_MASS>
314.15181

> <CHARGE>
0

> <SMILES>
O1C23C4C5(C(C2C(CC=C3)(C1=O)C)C(O)=O)CC(CC4)C(C5)=C

> <INCHI>
InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)

> <INCHIKEY>
WKDIZCSRKTURDM-UHFFFAOYSA-N

$$$$