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CHEBI:5323 - gentisein

Default Structure
ChEBI IDCHEBI:5323
ChEBI Namegentisein
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7.
Last Modified3 October 2014
DownloadsMolfile
FormulaC13H8O5
Net Charge0
Average Mass244.202
Monoisotopic Mass244.03717
SMILESO=c1c2cc(O)ccc2oc2cc(O)cc(O)c12
InChIInChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
InChIKeyJJUNZBRHHGLJQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum annulatum (ncbitaxon:708052) - PubMed (17260692)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
gentisein (CHEBI:5323) has role plant metabolite (CHEBI:76924)
gentisein (CHEBI:5323) is a polyphenol (CHEBI:26195)
gentisein (CHEBI:5323) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3,7-trihydroxy-9H-xanthen-9-one
Synonym  Source
1,3,7-TrihydroxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C00002953KNApSAcK
C10065KEGG COMPOUND
HMDB0029463HMDB
Registry NumbersSources
Reaxys:384687Reaxys
CAS:529-49-7ChemIDplus
CAS:529-49-7KEGG COMPOUND
Citations