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CHEBI:5324 - gentisin

ChEBI IDCHEBI:5324
ChEBI Namegentisin
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3.
Last Modified3 October 2014
DownloadsMolfile
FormulaC14H10O5
Net Charge0
Average Mass258.229
Monoisotopic Mass258.05282
SMILESCOc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1
InChIInChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
InChIKeyXOXYHGOIRWABTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gentiana lutea (ncbitaxon:38851) root (BTO:0001188) PubMed (18064621)
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)
gentisin (CHEBI:5324) has role plant metabolite (CHEBI:76924)
gentisin (CHEBI:5324) is a aromatic ether (CHEBI:35618)
gentisin (CHEBI:5324) is a polyphenol (CHEBI:26195)
gentisin (CHEBI:5324) is a xanthones (CHEBI:51149)
IUPAC Name 
1,7-dihydroxy-3-methoxy-9H-xanthen-9-one
Synonym  Source
1,7-Dihydroxy-3-methoxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C10066KEGG COMPOUND
C00002954KNApSAcK
HMDB0031760HMDB
Registry NumbersSources
Reaxys:384788Reaxys
CAS:437-50-3KEGG COMPOUND
Citations