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CHEBI:206492 - Methyldihydromitorubrin

ChEBI IDCHEBI:206492
ChEBI NameMethyldihydromitorubrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O7
Net Charge0
Average Mass398.411
Monoisotopic Mass398.13655
SMILESCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1
InChIInChI=1S/C22H22O7/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/h7-11,23H,5-6H2,1-4H3/t22-/m0/s1
InChIKeyVOKSXQHAXBBDMM-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/s0031-9422(97)00530-x)
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)
Methyldihydromitorubrin (CHEBI:206492) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-7-methyl-6,8-dioxo-3-propylisochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate
Manual XrefsDatabases
8962341ChemSpider