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CHEBI:80895 - plantaginin

ChEBI IDCHEBI:80895
ChEBI Nameplantaginin
Stars
DefinitionA glycosyloxyflavone that is scutellarein attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified5 June 2015
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c12
InChIInChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1
InChIKeyVUGRLRAUZWGZJP-IAAKTDFRSA-N
Species of MetaboliteComponentSourceComments
Dracocephalum peregrinum (IPNI:446489-1) - PubMed (18958424)
Plantago asiatica (ncbitaxon:197796) - PubMed (2488968)
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)
plantaginin (CHEBI:80895) has functional parent scutellarein (CHEBI:9062)
plantaginin (CHEBI:80895) has role plant metabolite (CHEBI:76924)
plantaginin (CHEBI:80895) is a glycosyloxyflavone (CHEBI:50018)
plantaginin (CHEBI:80895) is a monosaccharide derivative (CHEBI:63367)
plantaginin (CHEBI:80895) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside
Synonym  Source
Scutellarein 7beta-D-glucopyranosideKEGG COMPOUND
Manual XrefsDatabases
C17056KEGG COMPOUND
LMPK12111109LIPID MAPS
C00004220KNApSAcK
CN1513862Patent
Registry NumbersSources
Reaxys:1360179Reaxys
Citations