Marvin  06190610572D          

 17 18  0  0  0  0            999 V2000
    0.3126   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8308   -1.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -0.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0271    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705   -0.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    2.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2598   -1.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14  4  2  0  0  0  0
 10  3  2  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 11  2  0  0  0  0
  6 13  2  0  0  0  0
  5 13  1  0  0  0  0
  5  9  2  0  0  0  0
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
  8 17  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
> <ID>
CHEBI:45713

> <NAME>
trans-resveratrol

> <DEFINITION>
A resveratrol in which the double bond has E configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:36000; CHEBI:45712

> <SYNONYM>
trans-resveratrol; Resveratrol; RESVERATROL; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; 3,5,4'-trihydroxystilbene; 3,4',5-trihydroxystilbene; 3,4',5-trihydroxy-trans-stilbene; 3,4',5-stilbenetriol; (E)-resveratrol; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol

> <IUPAC_NAME>
5-[(1E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

> <FORMULA>
C14H12O3

> <MASS>
228.24328

> <MONOISOTOPIC_MASS>
228.07864

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)\C=C\c1cc(O)cc(O)c1

> <INCHI>
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

> <INCHIKEY>
LUKBXSAWLPMMSZ-OWOJBTEDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1912434

> <CAS_REGISTRY_NUMBER>
501-36-0

> <REAXYS_REGISTRY_NUMBER>
1912434

> <CHEMIDPLUS>
501-36-0

> <DRUGBANK_ACCESSION>
DB02709

> <KEGG_COMPOUND_ACCESSION>
C03582

> <KNAPSACK_ACCESSION>
C00002903

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK13090005

> <METACYC_ACCESSION>
CPD-83

> <NIST_CHEMISTRY_WEBBOOK>
501-36-0

> <PDBECHEM_ACCESSION>
STL

> <WIKIPEDIA_ACCESSION>
Resveratrol

> <PUBMED_CITATION>
11408943; 11414688; 15492766; 18261608; 18616940; 18789672; 19046449; 19084917; 24345046; 24467639; 25172731; 25308653; 25624257; 25643926; 25684680; 25704710; 25724133; 25762527; 25814186; 25841977; 25937213; 28094526

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