Marvin  01111315422D          

 22 23  0  0  0  0            999 V2000
   -0.9283  -23.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9283  -25.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619  -26.0689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7914  -25.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620  -23.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4201  -24.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410  -23.9986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6410  -24.8258    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3620  -25.2416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0746  -24.8259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0746  -23.9987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7914  -23.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284  -22.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2141  -22.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002  -22.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4972  -23.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107  -23.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9259  -23.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232  -22.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091  -22.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359  -22.3424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6407  -23.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  2  1  6  0  0  0
  9  3  1  1  0  0  0
 10  4  1  6  0  0  0
  1 13  1  0  0  0  0
  6 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11  5  1  0  0  0  0
 14 15  1  0  0  0  0
  5  7  1  0  0  0  0
 15 16  2  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  2  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
 10 11  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 11 12  1  1  0  0  0
 19 21  1  0  0  0  0
  7  1  1  1  0  0  0
 18 22  1  0  0  0  0
M  END
> <ID>
CHEBI:65791

> <NAME>
2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside

> <DEFINITION>
A β-D-glucoside having hydroxytyrosol as the anomeric substituent. Isolated from Zantedeschia aethiopica and Picrorhiza scrophulariiflora, it exhibits antioxidant activity.

> <STAR>
3

> <SYNONYM>
hydroxytyrosol glucoside; dopaol beta-D-glucoside

> <IUPAC_NAME>
2-(3,4-dihydroxyphenyl)ethyl beta-D-glucopyranoside

> <FORMULA>
C14H20O8

> <MASS>
316.30380

> <MONOISOTOPIC_MASS>
316.11582

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1

> <INCHIKEY>
PQQITYGQJLPDFC-RKQHYHRCSA-N

> <REAXYS_REGISTRY_NUMBER>
5876669

> <PUBMED_CITATION>
15706916; 21261296

$$$$