Marvin  10020611092D          

  8  8  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:17594

> <NAME>
hydroquinone

> <DEFINITION>
A benzenediol comprising benzene core carrying two hydroxy substituents para to each other.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5793; CHEBI:14416; CHEBI:24645

> <SYNONYM>
Quinol; p-hydroxyphenol; p-Hydroquinone; p-Benzenediol; hydroquinone; Hydroquinone; Eldoquin; Benzene-1,4-diol; 4-Hydroxyphenol; 1,4-Dihydroxybenzene; 1,4-Benzenediol

> <IUPAC_NAME>
benzene-1,4-diol

> <FORMULA>
C6H6O2

> <MASS>
110.11064

> <MONOISOTOPIC_MASS>
110.03678

> <CHARGE>
0

> <SMILES>
Oc1ccc(O)cc1

> <INCHI>
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H

> <INCHIKEY>
QIGBRXMKCJKVMJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605970

> <CAS_REGISTRY_NUMBER>
123-31-9

> <GMELIN_REGISTRY_NUMBER>
2742

> <REAXYS_REGISTRY_NUMBER>
605970

> <CHEMIDPLUS>
123-31-9

> <KEGG_COMPOUND_ACCESSION>
C00530

> <KEGG_DRUG_ACCESSION>
D00073

> <KNAPSACK_ACCESSION>
C00002656

> <METACYC_ACCESSION>
HYDROQUINONE

> <NIST_CHEMISTRY_WEBBOOK>
123-31-9

> <WIKIPEDIA_ACCESSION>
Hydroquinone

> <PUBMED_CITATION>
11170505; 12213471; 1395635; 15618234; 15894107; 1899343; 19148301; 24407054; 24858384; 25586344

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