Marvin  01211313302D          

 11 11  0  0  0  0            999 V2000
   16.0171  -28.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0151  -29.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7343  -28.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7285  -29.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4456  -28.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3038  -28.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4456  -29.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3016  -29.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8705  -28.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571  -28.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5852  -28.2086    0.0000 O   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  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7  4  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <ID>
CHEBI:68889

> <NAME>
hydroxytyrosol

> <DEFINITION>
A member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities.

> <STAR>
3

> <SYNONYM>
dopet; 3,4-dihydroxyphenylethanol

> <IUPAC_NAME>
4-(2-hydroxyethyl)benzene-1,2-diol

> <FORMULA>
C8H10O3

> <MASS>
154.16320

> <MONOISOTOPIC_MASS>
154.06299

> <CHARGE>
0

> <SMILES>
OCCc1ccc(O)c(O)c1

> <INCHI>
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

> <INCHIKEY>
JUUBCHWRXWPFFH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
10597-60-1

> <REAXYS_REGISTRY_NUMBER>
2208118

> <CHEMIDPLUS>
10597-60-1

> <LINCS_ACCESSION>
LSM-36968

> <WIKIPEDIA_ACCESSION>
Hydroxytyrosol

> <PUBMED_CITATION>
22014120; 22924436; 23017390; 23244583

$$$$