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CHEBI:81163 - plantagoside

ChEBI IDCHEBI:81163
ChEBI Nameplantagoside
Stars
DefinitionA flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 4' and 5' and a β-D-glucopyranosyloxy group at position 3' respectively.
Last Modified6 April 2018
DownloadsMolfile
FormulaC21H22O12
Net Charge0
Average Mass466.395
Monoisotopic Mass466.11113
SMILESO=C1C[C@@H](c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1
InChIKeySNFFBROYEDWRGB-NHXQFOETSA-N
Species of MetaboliteComponentSourceComments
Plantago asiatica (ncbitaxon:197796) seed (BTO:0001226) PubMed (2610694)
Plantago major (ncbitaxon:29818) seed (BTO:0001226) PubMed (24895551)
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)
plantagoside (CHEBI:81163) has functional parent (2S)-flavanone (CHEBI:15606)
plantagoside (CHEBI:81163) has role plant metabolite (CHEBI:76924)
plantagoside (CHEBI:81163) is a 4'-hydroxyflavanones (CHEBI:140331)
plantagoside (CHEBI:81163) is a flavanone glycoside (CHEBI:72730)
plantagoside (CHEBI:81163) is a monosaccharide derivative (CHEBI:63367)
plantagoside (CHEBI:81163) is a tetrahydroxyflavanone (CHEBI:38742)
plantagoside (CHEBI:81163) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3-dihydroxyphenyl β-D-glucopyranoside
Synonyms  Source
2'-O-β-glucopyranosyl-5,7,4',5'-tetrahydroxyflavanoneChemIDplus
5,7,4',5'-tetrahydroxyflavanone-3'-O-glucosideChEBI
Manual XrefsDatabases
C17531KEGG COMPOUND
LMPK12140454LIPID MAPS
C00008343KNApSAcK
Registry NumbersSources
Reaxys:5670908Reaxys
CAS:78708-33-5KEGG COMPOUND
CAS:78708-33-5ChemIDplus
Citations