Marvin  03241015252D          

 13 13  0  0  0  0            999 V2000
   22.5721   -5.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8576   -6.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8576   -6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5721   -7.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2866   -6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2866   -6.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1431   -5.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5721   -4.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8576   -4.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0010   -5.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0010   -7.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7155   -6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4300   -7.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <ID>
CHEBI:59074

> <NAME>
3-methyleugenol

> <DEFINITION>
A phenylpropanoid consisting of eugenol having a methyl substituent at the 3-position.

> <STAR>
3

> <SYNONYM>
o-methoxy-m-methyl-p-allylphenol; 4-allyl-2-methoxy-3-methylphenol; 4-allyl-2-methoxy-3-methyl-phenol; 2-hydroxy-6-methyl-5-allylanisole

> <IUPAC_NAME>
2-methoxy-3-methyl-4-(2-propen-1-yl)-phenol

> <FORMULA>
C11H14O2

> <MASS>
178.22770

> <MONOISOTOPIC_MASS>
178.09938

> <CHARGE>
0

> <SMILES>
COc1c(O)ccc(CC=C)c1C

> <INCHI>
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12)11(13-3)8(9)2/h4,6-7,12H,1,5H2,2-3H3

> <INCHIKEY>
AJDXXCWZGWECKS-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
8833747

> <PUBMED_CITATION>
9084914

$$$$