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CHEBI:77728 - bergaptol(1−)

Default Structure
ChEBI IDCHEBI:77728
ChEBI Namebergaptol(1−)
Stars
ASCII Namebergaptol(1-)
DefinitionA phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified19 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H5O4
Net Charge-1
Average Mass201.157
Monoisotopic Mass201.01933
SMILESO=c1ccc2c([O-])c3ccoc3cc2o1
InChIInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H/p-1
InChIKeyGIJHDGJRTUSBJR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
bergaptol(1−) (CHEBI:77728) is a phenolate anion (CHEBI:50525)
bergaptol(1−) (CHEBI:77728) is conjugate base of bergaptol (CHEBI:17377)
Incoming Relation(s)
bergaptol (CHEBI:17377) is conjugate acid of bergaptol(1−) (CHEBI:77728)
IUPAC Name 
7-oxo-7H-furo[3,2-g]chromen-4-olate
UniProt Name  Source
bergaptolUniProt