Marvin  11090514442D          

 11 11  0  0  0  0            999 V2000
    0.8395    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8395    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  7  2  0  0  0  0
  4  6  1  0  0  0  0
  7  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:955

> <NAME>
2,6-dimethoxyphenol

> <DEFINITION>
A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.

> <STAR>
3

> <SYNONYM>
Syringol; Pyrogallol 1,3-dimethyl ether; 2-hydroxy-1,3-dimethoxybenzene; 2,6-Dimethoxyphenol; 1,3-dimethyl pyrogallate; 1,3-dimethoxy-2-hydroxybenzene; 1,3-di-O-methylpyrogallol

> <IUPAC_NAME>
2,6-dimethoxyphenol

> <FORMULA>
C8H10O3

> <MASS>
154.16320

> <MONOISOTOPIC_MASS>
154.06299

> <CHARGE>
0

> <SMILES>
COc1cccc(OC)c1O

> <INCHI>
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3

> <INCHIKEY>
KLIDCXVFHGNTTM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1526871

> <CAS_REGISTRY_NUMBER>
91-10-1

> <GMELIN_REGISTRY_NUMBER>
794071

> <REAXYS_REGISTRY_NUMBER>
1526871

> <CHEMIDPLUS>
91-10-1

> <KEGG_COMPOUND_ACCESSION>
C10787

> <KNAPSACK_ACCESSION>
C00002646

> <METACYC_ACCESSION>
CPD-12797

> <NIST_CHEMISTRY_WEBBOOK>
91-10-1

> <PDBECHEM_ACCESSION>
3DM

> <WIKIPEDIA_ACCESSION>
Syringol

> <PUBMED_CITATION>
11589408; 21417387; 25614246

$$$$