Marvin  05211314142D          

 25 24  0  0  0  0            999 V2000
    7.9683   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7933   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7933   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525   -3.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078   -3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078   -4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0472   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0472   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616   -3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4761   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1906   -3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9050   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6195   -3.3484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7616   -4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4761   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1906   -4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9050   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6195   -4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9050   -2.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3340   -2.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0483   -3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7626   -2.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  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 11  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
 21 20  1  0  0  0  0
 15 22  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:73725

> <NAME>
N-gondoylethanolamine

> <DEFINITION>
A fatty amide obtained by the formal condensation of (11Z)-eicosaenoic acid with ethanolamine.

> <STAR>
3

> <SYNONYM>
N-cis-11-eicosaenoylethanolamine; N-(11Z)-eicosaenoylethanolamine

> <IUPAC_NAME>
(11Z)-N-(2-hydroxyethyl)icos-11-enamide

> <FORMULA>
C22H43NO2

> <MASS>
353.58230

> <MONOISOTOPIC_MASS>
353.32938

> <CHARGE>
0

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCCC(=O)NCCO

> <INCHI>
InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-

> <INCHIKEY>
YDKRGMXLBRWZJR-KTKRTIGZSA-N

> <REAXYS_REGISTRY_NUMBER>
7641807

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA08040010

$$$$