101933307
  CDK     0208191035

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.9509    0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2  9  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 17  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  9 14  1  0  0  0  0 
 10 13  2  0  0  0  0 
 11 16  2  0  0  0  0 
 12 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 12 15  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:143062

> <NAME>
Helinorbisabone

> <STAR>
2

> <FORMULA>
C14H18O4

> <MASS>
250.291

> <MONOISOTOPIC_MASS>
250.12051

> <CHARGE>
0

> <SMILES>
OC(C(C1=C(O)C=C(C(O)=C1)C)C)/C=C\C(=O)C

> <INCHI>
InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3/b5-4-

> <INCHIKEY>
QUWXRNSZOIJARN-PLNGDYQASA-N

> <PUBMED_CITATION>
30558273

$$$$