Mrv0541 08201415042D          

 21 20  0  0  0  0            999 V2000
    6.9046   -4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9046   -5.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -5.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4755   -4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4755   -5.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6191   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3337   -4.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6191   -5.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3336   -5.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482   -4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7626   -4.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0480   -5.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -5.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771   -4.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4769   -5.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1912   -5.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055   -5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6199   -5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6217   -4.5128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375   -5.7555    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1  21  -1
M  END
> <ID>
CHEBI:78796

> <NAME>
nonadecanoate

> <DEFINITION>
A nineteen carbon straight-chain fatty acid anion. Major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
nonadecanoate

> <FORMULA>
C19H37O2

> <MASS>
297.49640

> <MONOISOTOPIC_MASS>
297.27990

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)/p-1

> <INCHIKEY>
ISYWECDDZWTKFF-UHFFFAOYSA-M

$$$$