EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6785 - mesuaxanthone A

ChEBI IDCHEBI:6785
ChEBI Namemesuaxanthone A
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at bpositions 1 and 5 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)c3cccc(O)c3oc2c1
InChIInChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
InChIKeyIQIGECASJMDDMD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mesua ferrea (ncbitaxon:210380) - DOI (10.1016/S0040-4020(01)83306-8)
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)
mesuaxanthone A (CHEBI:6785) has role plant metabolite (CHEBI:76924)
mesuaxanthone A (CHEBI:6785) is a aromatic ether (CHEBI:35618)
mesuaxanthone A (CHEBI:6785) is a polyphenol (CHEBI:26195)
mesuaxanthone A (CHEBI:6785) is a xanthones (CHEBI:51149)
IUPAC Name 
1,5-dihydroxy-3-methoxy-9H-xanthen-9-one
Synonym  Source
1,5-Dihydroxy-3-methoxyxanthoneKEGG COMPOUND
Manual XrefsDatabases
C10081KEGG COMPOUND
C00002964KNApSAcK
Registry NumbersSources
Reaxys:1291005Reaxys
CAS:3561-81-7KEGG COMPOUND
CAS:3561-81-7ChemIDplus