Marvin  01031310122D          

 21 22  0  0  0  0            999 V2000
   -1.8010   -7.3442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6302   -7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0427   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2802   -7.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677   -6.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0427   -6.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510   -7.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -7.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -8.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -8.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1510   -8.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3882   -6.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2805   -8.7743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1052   -7.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2796   -5.9176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8665   -5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -8.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5632   -6.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  1  0  0  0
  1  2  1  0  0  0  0
  4 16  1  0  0  0  0
  2  3  1  0  0  0  0
  5 17  1  0  0  0  0
  3  4  2  0  0  0  0
  6 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  5  6  2  0  0  0  0
 12 20  1  0  0  0  0
  6  7  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <ID>
CHEBI:65743

> <NAME>
dendrocandin C

> <DEFINITION>
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4' and methoxy groups at C-5 and α-position respectively (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.

> <STAR>
3

> <SYNONYM>
(S)-3,4,4'-trihydroxy-5,alpha-dimethoxybibenzyl

> <IUPAC_NAME>
5-[(1S)-2-(4-hydroxyphenyl)-1-methoxyethyl]-3-methoxybenzene-1,2-diol

> <FORMULA>
C16H18O5

> <MASS>
290.31110

> <MONOISOTOPIC_MASS>
290.11542

> <CHARGE>
0

> <SMILES>
CO[C@@H](Cc1ccc(O)cc1)c1cc(O)c(O)c(OC)c1

> <INCHI>
InChI=1S/C16H18O5/c1-20-14(7-10-3-5-12(17)6-4-10)11-8-13(18)16(19)15(9-11)21-2/h3-6,8-9,14,17-19H,7H2,1-2H3/t14-/m0/s1

> <INCHIKEY>
NETURQQBHBZIMJ-AWEZNQCLSA-N

> <REAXYS_REGISTRY_NUMBER>
19477771

> <PUBMED_CITATION>
19182417

$$$$