Marvin  08220617012D          

 20 21  0  0  0  0            999 V2000
    2.5006    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  6  3  1  0  0  0  0
 15  3  1  0  0  0  0
  5  4  2  0  0  0  0
  7  5  1  0  0  0  0
  7  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 13 10  1  0  0  0  0
 17 10  1  0  0  0  0
 12 11  2  0  0  0  0
 14 12  1  0  0  0  0
 14 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20  7  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:36390

> <NAME>
3,3'-dimethoxy-trans-stilbene-4,4'-diol

> <STAR>
3

> <SYNONYM>
4,4'-(E)-ethene-1,2-diylbis(2-methoxyphenol)

> <IUPAC_NAME>
2,2'-dimethoxy-4,4'-[(1E)-ethene-1,2-diyl]diphenol

> <FORMULA>
C16H16O4

> <MASS>
272.29584

> <MONOISOTOPIC_MASS>
272.10486

> <CHARGE>
0

> <SMILES>
COc1cc(ccc1O)\C=C\c1ccc(O)c(OC)c1

> <INCHI>
InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+

> <INCHIKEY>
KQPXJFAYGYIGRU-ONEGZZNKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3209901

> <KEGG_COMPOUND_ACCESSION>
C04547

$$$$