CHEBI:5313 - gentiacaulein

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ChEBI Name gentiacaulein
ChEBI ID CHEBI:5313
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H12O6
Net Charge 0
Average Mass 288.25220
Monoisotopic Mass 288.06339
InChI InChI=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
InChIKey WYOSCUWDVFHQFY-UHFFFAOYSA-N
SMILES COc1cc(O)c2c(c1)oc1ccc(O)c(OC)c1c2=O
Metabolite of Species Details
Gentianopsis barbata (NCBI:txid156522) 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.
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ChEBI Ontology
Outgoing 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-dimethoxyxanthone KEGG COMPOUND
Manual Xrefs Databases
C00002952 KNApSAcK
C10064 KEGG COMPOUND
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Registry Numbers Types Sources
15402-27-4 CAS Registry Number KEGG COMPOUND
292628 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14531031 PubMed citation Europe PMC
14558348 PubMed citation Europe PMC
15646999 PubMed citation Europe PMC
25194343 PubMed citation Europe PMC
Last Modified
03 October 2014