CHEBI:137471 - tetrahydroxy-1,4-benzoquinone hydrate

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ChEBI Name tetrahydroxy-1,4-benzoquinone hydrate ChEBI ID CHEBI:137471 Definition The hydrate of tetrahydroxy-1,4-benzoquinone. The number of water molecules of crystallization (n) is variable, although most commonly the dihydrate (shown in the diagram) is formed in the solid phase. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H8O8.nH2O Net Charge 0 Average Mass 208.123 Monoisotopic Mass 208.02192 InChI InChI=1S/C6H4O6.2H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8,11-12H;2*1H2 InChIKey PTIMJXRLFTZAOV-UHFFFAOYSA-N SMILES C1(=C(C(C(=C(C1=O)O)O)=O)O)O.O.O ChEBI Ontology Outgoing tetrahydroxy-1,4-benzoquinone hydrate (CHEBI:137471) has part tetrahydroxy-1,4-benzoquinone (CHEBI:137472) tetrahydroxy-1,4-benzoquinone hydrate (CHEBI:137471) is a hydrate (CHEBI:35505) IUPAC Name 2,3,5,6-tetrahydroxy-1,4-benzoquinone hydrate (1:x) Synonyms Sources 2,3,5,6-tetrahydroxy-2,5-cyclohexadiene-1,4-dione hydrate ChEBI 2,3,5,6-tetrahydroxy-2,5-cyclohexadiene-1,4-dione hydrate (1:?) ChEBI Registry Number Type Source 123334-16-7 CAS Registry Number ChEBI Citation Type Source 28166217 PubMed citation Europe PMC Last Modified 20 June 2017