EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57775 - stipitaton-4-olate

Default Structure
ChEBI IDCHEBI:57775
ChEBI Namestipitaton-4-olate
Stars
DefinitionConjugate base of stipitatonic acid arising from selective deprotonation of the 4-hydroxy group; major species at pH 7.3.
Last Modified22 May 2014
DownloadsMolfile
FormulaC9H3O6
Net Charge-1
Average Mass207.117
Monoisotopic Mass206.99351
SMILESO=C1OC(=O)c2c([O-])cc(=O)c(O)cc21
InChIInChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)/p-1
InChIKeyIECSWTFJOUGQFO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
stipitaton-4-olate (CHEBI:57775) is a organic anion (CHEBI:25696)
stipitaton-4-olate (CHEBI:57775) is conjugate base of stipitatonic acid (CHEBI:16445)
Incoming Relation(s)
stipitatonic acid (CHEBI:16445) is conjugate acid of stipitaton-4-olate (CHEBI:57775)
IUPAC Name 
7-hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate
Synonym  Source
7-hydroxy-1,3,6-trioxo-1H,3H,6H-cyclohepta[c]furan-4-olateChEBI
UniProt Name  Source
stipitatonateUniProt