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CHEBI:210050 - 6′′-hydroxy-(R)-mitorubrinic acid

Default Structure
ChEBI IDCHEBI:210050
ChEBI Name6′′-hydroxy-(R)-mitorubrinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O10
Net Charge0
Average Mass428.349
Monoisotopic Mass428.07435
SMILESCc1c(O)c(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(C=CC(=O)O)OC=C2C1=O
InChIInChI=1S/C21H16O10/c1-9-17(13(22)7-14(23)18(9)27)20(29)31-21(2)15(24)6-10-5-11(3-4-16(25)26)30-8-12(10)19(21)28/h3-8,22-23,27H,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyZAJQEGMVTZBMAY-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies 16-5C (ncbitaxon:1284283) - PubMed (25591039)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
6′′-hydroxy-(R)-mitorubrinic acid (CHEBI:210050) is a azaphilone (CHEBI:50941)
IUPAC Name 
3-[(7R)-7-methyl-6,8-dioxo-7-(3,4,6-trihydroxy-2-methylbenzoyl)oxyisochromen-3-yl]prop-2-enoic acid
Manual XrefsDatabases
78437950ChemSpider