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CHEBI:6006 - isoetin

ChEBI IDCHEBI:6006
ChEBI Nameisoetin
Stars
DefinitionA pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2', 4' and 5'.
Last Modified16 March 2015
DownloadsMolfile
FormulaC15H10O7
Net Charge0
Average Mass302.238
Monoisotopic Mass302.04265
SMILESO=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H10O7/c16-6-1-11(20)15-12(21)5-13(22-14(15)2-6)7-3-9(18)10(19)4-8(7)17/h1-5,16-20H
InChIKeyDSNIERNBMAVNJI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Taraxacum mongolicum (ncbitaxon:90037) - PubMed (18720865)
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)
isoetin (CHEBI:6006) has role plant metabolite (CHEBI:76924)
isoetin (CHEBI:6006) is a pentahydroxyflavone (CHEBI:25883)
IUPAC Name 
5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Synonym  Source
5,7,2',4',5'-PentahydroxyflavoneKEGG COMPOUND
Manual XrefsDatabases
C10079KEGG COMPOUND
C00001054KNApSAcK
Registry NumbersSources
Reaxys:1264274Reaxys
CAS:1621-84-7KEGG COMPOUND
Citations