CHEBI:5323 - gentisein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gentisein
ChEBI ID CHEBI:5323
Definition A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C13H8O5
Net Charge 0
Average Mass 244.19960
Monoisotopic Mass 244.03717
InChI InChI=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
InChIKey JJUNZBRHHGLJQW-UHFFFAOYSA-N
SMILES Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Metabolite of Species Details
Hypericum annulatum (NCBI:txid708052) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-Trihydroxyxanthone KEGG COMPOUND
Manual Xrefs Databases
C00002953 KNApSAcK
C10065 KEGG COMPOUND
HMDB0029463 HMDB
View more database links
Registry Numbers Types Sources
384687 Reaxys Registry Number Reaxys
529-49-7 CAS Registry Number KEGG COMPOUND
529-49-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17127518 PubMed citation Europe PMC
17260692 PubMed citation Europe PMC
20030083 PubMed citation Europe PMC
3889613 PubMed citation Europe PMC
Last Modified
03 October 2014