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CHEBI:85168 - mirificin

ChEBI IDCHEBI:85168
ChEBI Namemirificin
Stars
DefinitionA flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-β-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.
Last Modified10 March 2015
Submitternamrata
DownloadsMolfile
FormulaC26H28O13
Net Charge0
Average Mass548.497
Monoisotopic Mass548.15299
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12
InChIInChI=1S/C26H28O13/c27-9-26(35)10-38-25(24(26)34)37-8-16-19(31)20(32)21(33)23(39-16)17-15(29)6-5-13-18(30)14(7-36-22(13)17)11-1-3-12(28)4-2-11/h1-7,16,19-21,23-25,27-29,31-35H,8-10H2/t16-,19-,20+,21-,23+,24+,25-,26-/m1/s1
InChIKeyZBXWGKPUSLRPHX-QOIVFALESA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
mirificin (CHEBI:85168) has role plant metabolite (CHEBI:76924)
mirificin (CHEBI:85168) is a dihydroxyflavone (CHEBI:38686)
mirificin (CHEBI:85168) is a flavone C-glycoside (CHEBI:83280)
IUPAC Name 
(1S)-1,5-anhydro-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol
Registry NumbersSources
Reaxys:8746117Reaxys
Citations