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CHEBI:78326 - 5-hydroxyxanthotoxin(1−)

ChEBI IDCHEBI:78326
ChEBI Name5-hydroxyxanthotoxin(1−)
Stars
ASCII Name5-hydroxyxanthotoxin(1-)
DefinitionA phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 October 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H7O5
Net Charge-1
Average Mass231.183
Monoisotopic Mass231.02990
SMILESCOc1c2occc2c([O-])c2ccc(=O)oc12
InChIInChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3/p-1
InChIKeyXPFCGZWOHNGDSP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-hydroxyxanthotoxin(1−) (CHEBI:78326) is a phenolate anion (CHEBI:50525)
5-hydroxyxanthotoxin(1−) (CHEBI:78326) is conjugate base of 5-hydroxyxanthotoxin (CHEBI:2082)
Incoming Relation(s)
5-hydroxyxanthotoxin (CHEBI:2082) is conjugate acid of 5-hydroxyxanthotoxin(1−) (CHEBI:78326)
IUPAC Name 
9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-olate
UniProt Name  Source
5-hydroxyxanthotoxinUniProt