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CHEBI:192417 - Cirsimarin

ChEBI IDCHEBI:192417
ChEBI NameCirsimarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O11
Net Charge0
Average Mass476.434
Monoisotopic Mass476.13186
SMILESCOc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H24O11/c1-30-15-8-14-17(19(27)22(15)31-2)12(25)7-13(33-14)10-3-5-11(6-4-10)32-23-21(29)20(28)18(26)16(9-24)34-23/h3-8,16,18,20-21,23-24,26-29H,9H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
InChIKeyRETJLKUBHXTIGH-FZFRBNDOSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Cirsimarin (CHEBI:192417) is a flavonoids (CHEBI:72544)
Cirsimarin (CHEBI:192417) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
140227ChemSpider
Registry NumbersSources
CAS:13020-19-4ChemIDplus