Marvin  02291209162D          

 21 21  0  0  0  0            999 V2000
   20.8615  -16.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8615  -15.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7096  -14.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5578  -15.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5578  -16.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7096  -17.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1651  -16.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1651  -15.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0133  -17.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3169  -17.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4060  -14.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4060  -17.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2542  -16.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4687  -16.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6205  -17.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7723  -16.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6205  -18.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9242  -17.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7723  -19.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9242  -18.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4687  -19.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  9  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
 11  4  1  0  0  0  0
  6  5  2  0  0  0  0
 12  5  1  0  0  0  0
  8  7  2  0  0  0  0
 10  7  1  0  0  0  0
  9  7  1  0  0  0  0
 14 10  1  0  0  0  0
 13 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <ID>
CHEBI:64041

> <NAME>
N-octylhomovanillamide

> <DEFINITION>
A monocarboxylic acid amide that is the N-octyl amide of homovanillic acid.

> <STAR>
3

> <SYNONYM>
OHV; octylhomovanillamide; octyl homovanillamide; 4-hydroxy-3-methoxy-N-octylbenzeneacetamide

> <IUPAC_NAME>
2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide

> <FORMULA>
C17H27NO3

> <MASS>
293.40120

> <MONOISOTOPIC_MASS>
293.19909

> <CHARGE>
0

> <SMILES>
CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1

> <INCHI>
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-11-18-17(20)13-14-9-10-15(19)16(12-14)21-2/h9-10,12,19H,3-8,11,13H2,1-2H3,(H,18,20)

> <INCHIKEY>
RRCXCIBDXPXSRA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
58418-73-8

> <REAXYS_REGISTRY_NUMBER>
6371275

> <CHEMIDPLUS>
58418-73-8

> <PUBMED_CITATION>
8410971

$$$$