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CHEBI:5313 - gentiacaulein

ChEBI IDCHEBI:5313
ChEBI Namegentiacaulein
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6.
Last Modified3 October 2014
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCOc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1
InChIInChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
InChIKeyWYOSCUWDVFHQFY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gentianopsis barbata (ncbitaxon:156522) - PubMed (14558348)
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)
gentiacaulein (CHEBI:5313) has role plant metabolite (CHEBI:76924)
gentiacaulein (CHEBI:5313) is a aromatic ether (CHEBI:35618)
gentiacaulein (CHEBI:5313) is a polyphenol (CHEBI:26195)
gentiacaulein (CHEBI:5313) is a xanthones (CHEBI:51149)
IUPAC Name 
2,8-dihydroxy-1,6-dimethoxy-9H-xanthen-9-one
Synonym  Source
2,8-Dihydroxy-1,6-dimethoxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C10064KEGG COMPOUND
C00002952KNApSAcK
Registry NumbersSources
Reaxys:292628Reaxys
CAS:15402-27-4KEGG COMPOUND
Citations