Marvin  02251316272D          

 21 20  0  0  0  0            999 V2000
   12.7719   -9.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201  -10.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9867   -9.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8348  -10.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9867   -8.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6829   -9.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5310  -10.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3793   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2274  -10.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0755   -9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236  -10.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1384  -10.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6200  -11.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7717  -12.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236  -11.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0755  -12.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2273  -11.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3791  -12.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5310  -11.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6829  -12.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2925   -9.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1  2  2  0  0  0  0
 13  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 12  1  0  0  0  0
  4  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
 10 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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
 20 19  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <ID>
CHEBI:27542

> <NAME>
methyl oleate

> <DEFINITION>
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7742; CHEBI:25666

> <SYNONYM>
Oleic acid methyl ester; methyl-cis-oleate; methyl cis-9-octadecenoate; methyl (Z)-9-octadecenoate; (Z)-9-octadecenoic acid, methyl ester

> <IUPAC_NAME>
methyl (9Z)-octadec-9-enoate

> <FORMULA>
C19H36O2

> <MASS>
296.48790

> <MONOISOTOPIC_MASS>
296.27153

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

> <INCHIKEY>
QYDYPVFESGNLHU-KHPPLWFESA-N

> <CAS_REGISTRY_NUMBER>
112-62-9

> <REAXYS_REGISTRY_NUMBER>
1727037

> <CHEMIDPLUS>
112-62-9

> <KEGG_COMPOUND_ACCESSION>
C03425

> <KNAPSACK_ACCESSION>
C00030760

> <NIST_CHEMISTRY_WEBBOOK>
112-62-9

> <PUBMED_CITATION>
1262422; 18193214; 21324386; 927042

$$$$