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CHEBI:202714 - 4'-hydroxy-3'-methoxy-(S)-mitorubrin

ChEBI IDCHEBI:202714
ChEBI Name4'-hydroxy-3'-methoxy-(S)-mitorubrin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)c(O)c3OC)C(=O)C2=CO1
InChIInChI=1S/C22H20O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h5-10,23,25H,1-4H3/b6-5+/t22-/m0/s1
InChIKeyVKQIAFMFEISHPG-BDNZGDGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (16317828)
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)
4'-hydroxy-3'-methoxy-(S)-mitorubrin (CHEBI:202714) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 3,4-dihydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
34559250ChemSpider