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CHEBI:213298 - Rubiginosin A

ChEBI IDCHEBI:213298
ChEBI NameRubiginosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O9
Net Charge0
Average Mass444.436
Monoisotopic Mass444.14203
SMILESCC(=O)OC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc(O)cc1O)C2
InChIInChI=1S/C23H24O9/c1-12-7-15(25)10-18(26)20(12)22(28)32-19-9-14-8-16(5-4-6-30-13(2)24)31-11-17(14)21(27)23(19,3)29/h4-5,7-8,10,19,25-26,29H,6,9,11H2,1-3H3/b5-4+/t19-,23-/m1/s1
InChIKeyZDAMBVJOZXCGPS-PYDVXLROSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon rubiginosum (ncbitaxon:110542) - PubMed (15270570)
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)
Rubiginosin A (CHEBI:213298) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(6R,7R)-3-[(E)-3-acetyloxyprop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
9445729ChemSpider