CHEBI:85168 - mirificin

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ChEBI Name mirificin
ChEBI ID CHEBI:85168
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H28O13
Net Charge 0
Average Mass 548.49270
Monoisotopic Mass 548.15299
InChI InChI=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
InChIKey ZBXWGKPUSLRPHX-QOIVFALESA-N
SMILES OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c2c(O)ccc3c2occ(-c2ccc(O)cc2)c3=O)[C@@H]1O
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
8746117 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21532189 PubMed citation Europe PMC
22589159 PubMed citation Europe PMC
23518306 PubMed citation Europe PMC
24490564 PubMed citation Europe PMC
Last Modified
10 March 2015