Ketcher 08232112442D 1   1.00000     0.00000     0

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  3 18  2  0     0  0
M  END
> <ID>
CHEBI:177919

> <NAME>
(8Z,11Z)-heptadecadienal

> <DEFINITION>
A di-unsaturated long chain fatty aldehyde.

> <STAR>
2

> <SYNONYM>
(8Z,11Z)-heptadecadienal

> <FORMULA>
C17H30O

> <MASS>
250.426

> <MONOISOTOPIC_MASS>
250.22967

> <CHARGE>
0

> <SMILES>
C(=C\C/C=C\CCCCC)\CCCCCCC=O

> <INCHI>
InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6-,10-9-

> <INCHIKEY>
JEBIMSVVDVTZIY-HZJYTTRNSA-N

> <PUBMED_CITATION>
10455113

$$$$