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CHEBI:177069 - Scoparin

ChEBI IDCHEBI:177069
ChEBI NameScoparin
Stars
Last Modified6 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(OC)c4)oc23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1
InChIKeyYXHFXGHAELQJGK-PGPONNFDSA-N
ChEBI Ontology
Outgoing Relation(s)
Scoparin (CHEBI:177069) is a C-glycosyl compound (CHEBI:20857)
Scoparin (CHEBI:177069) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Synonym  Source
Chrysoeriol-8-C-glucosideChEBI
Manual XrefsDatabases
16736463ChemSpider
LMPK12110754LIPID MAPS
Registry NumbersSources
CAS:301-16-6ChemIDplus