ChEBI
  Marvin  09050812452D          

 13 13  0  0  0  0            999 V2000
   14.8967   -5.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8962   -6.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6108   -6.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6111   -5.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3256   -5.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0399   -5.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7545   -5.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1819   -6.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1821   -5.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4673   -6.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4671   -7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4679   -5.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7533   -5.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  4  2  0  0  0  0
  8  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  9  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:6877

> <NAME>
trans-isomethyleugenol

> <STAR>
3

> <SYNONYM>
trans-Methylisoeugenol; trans-4-Propenylveratrole; Isomethyleugenol; 4-trans-Propenylveratrole; (E)-methyl isoeugenol; (E)-isomethyleugenol

> <IUPAC_NAME>
1,2-dimethoxy-4-[(1E)-prop-1-en-1-yl]benzene

> <FORMULA>
C11H14O2

> <MASS>
178.22766

> <MONOISOTOPIC_MASS>
178.09938

> <CHARGE>
0

> <SMILES>
COc1ccc(\C=C\C)cc1OC

> <INCHI>
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+

> <INCHIKEY>
NNWHUJCUHAELCL-SNAWJCMRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
880472

> <CAS_REGISTRY_NUMBER>
6379-72-2

> <CHEMIDPLUS>
6379-72-2

> <KEGG_COMPOUND_ACCESSION>
C10478

> <KNAPSACK_ACCESSION>
C00002760

> <NIST_CHEMISTRY_WEBBOOK>
6379-72-2

$$$$