Marvin  10170509342D          

 12 11  0  0  0  0            999 V2000
    7.0859   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0859   -0.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6570   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7992   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703   -1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.4765    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6559   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 10  2  0  0  0  0
M  CHG  1  11  -1
M  END
> <ID>
CHEBI:33163

> <NAME>
dec-9-enoate

> <DEFINITION>
A medium-chain, unsaturated, straight-chain fatty acid anion and the conjugate base of  dec-9-enoic acid (caproleic acid), arising from deprotonation of the carboxylic acid group.

> <STAR>
3

> <SYNONYM>
Delta(9)-decenoate; caproleate; 9-decenoate; 9-decenoate

> <IUPAC_NAME>
dec-9-enoate

> <FORMULA>
C10H17O2

> <MASS>
169.24078

> <MONOISOTOPIC_MASS>
169.12340

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)CCCCCCCC=C

> <INCHI>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)/p-1

> <INCHIKEY>
KHAVLLBUVKBTBG-UHFFFAOYSA-M

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