Mrv0541 07101415022D          

 11 10  0  0  0  0            999 V2000
   19.7316  -30.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0173  -30.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0176  -31.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4465  -31.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7321  -31.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3026  -30.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5883  -30.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3033  -31.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5886  -31.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4465  -30.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1613  -31.6807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
  4 11  1  0  0  0  0
M  CHG  1  11  -1
M  END
> <ID>
CHEBI:32361

> <NAME>
nonanoate

> <DEFINITION>
A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity.

> <STAR>
3

> <SYNONYM>
pergonate; pelargonate; pelargate; nonylate; nonoate; nonanoate; n-nonanoate; CH3-[CH2]7-COO(-); 1-octanecarboxylate; 1-nonanoate

> <IUPAC_NAME>
nonanoate

> <FORMULA>
C9H17O2

> <MASS>
157.23060

> <MONOISOTOPIC_MASS>
157.12340

> <CHARGE>
-1

> <SMILES>
CCCCCCCCC([O-])=O

> <INCHI>
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1

> <INCHIKEY>
FBUKVWPVBMHYJY-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3904165

> <GMELIN_REGISTRY_NUMBER>
329987

$$$$