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CHEBI:208258 - Monomethyl-(S)-mitorubrin

ChEBI IDCHEBI:208258
ChEBI NameMonomethyl-(S)-mitorubrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O7
Net Charge0
Average Mass396.395
Monoisotopic Mass396.12090
SMILESC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1
InChIInChI=1S/C22H20O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h5-11,23H,1-4H3/b6-5+/t22-/m0/s1
InChIKeyVRWFEVIVOZKBJA-BDNZGDGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.24496/tennenyuki.51.0_611)
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)
Monomethyl-(S)-mitorubrin (CHEBI:208258) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
34559249ChemSpider