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CHEBI:1228 - 2-O-methylswertianin

ChEBI IDCHEBI:1228
ChEBI Name2-O-methylswertianin
Stars
ASCII Name2-O-methylswertianin
DefinitionA member of the class of xanthones that is swertianin in which the hydroxy group at position 2 has been replaced by a methoxy group.
Last Modified3 October 2014
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESCOc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1
InChIInChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3
InChIKeyPUECEVJMPDNNHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Swertia mussotii (ncbitaxon:137888) - PubMed (19645233)
Gentianopsis paludosa (ncbitaxon:50802) whole plant (BTO:0001461) PubMed (19107824)
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)
2-O-methylswertianin (CHEBI:1228) has functional parent swertianin (CHEBI:9371)
2-O-methylswertianin (CHEBI:1228) has role plant metabolite (CHEBI:76924)
2-O-methylswertianin (CHEBI:1228) is a aromatic ether (CHEBI:35618)
2-O-methylswertianin (CHEBI:1228) is a polyphenol (CHEBI:26195)
2-O-methylswertianin (CHEBI:1228) is a xanthones (CHEBI:51149)
IUPAC Name 
1,8-dihydroxy-2,6-dimethoxy-9H-xanthen-9-one
Synonym  Source
1,8-Dihydroxy-2,6-dimethoxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C10083KEGG COMPOUND
C00002966KNApSAcK
Registry NumbersSources
Reaxys:1351740Reaxys
CAS:22172-17-4KEGG COMPOUND
Citations