Mrv0541 12081416222D          
 
 17 18  0  0  0  0            999 V2000
   14.6061  -10.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8963  -10.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836  -10.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8963   -9.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4667  -10.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1870   -9.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4703   -9.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540  -10.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1767   -8.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3209  -10.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4652  -10.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4583  -11.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7483  -10.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7380  -11.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1675  -11.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0322  -10.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0287  -11.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  9  1  0  0  0  0
  6  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <ID>
CHEBI:4582

> <NAME>
dihydroresveratrol

> <DEFINITION>
A stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'.

> <STAR>
3

> <SYNONYM>
3,4',5-trihydroxybibenzyl

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

> <FORMULA>
C14H14O3

> <MASS>
230.25920

> <MONOISOTOPIC_MASS>
230.09429

> <CHARGE>
0

> <SMILES>
Oc1ccc(CCc2cc(O)cc(O)c2)cc1

> <INCHI>
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2

> <INCHIKEY>
HITJFUSPLYBJPE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
58436-28-5

> <REAXYS_REGISTRY_NUMBER>
1880985

> <CHEMIDPLUS>
58436-28-5

> <KEGG_COMPOUND_ACCESSION>
C10255

> <KNAPSACK_ACCESSION>
C00002879

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK13090035

> <PDBECHEM_ACCESSION>
RE2

> <WIKIPEDIA_ACCESSION>
Dihydro-resveratrol

> <AGRICOLA_CITATION>
IND44323581

> <PUBMED_CITATION>
20509689; 21318333; 22906730

$$$$