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CHEBI:218412 - Mitorubrinol

ChEBI IDCHEBI:218412
ChEBI NameMitorubrinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O8
Net Charge0
Average Mass398.367
Monoisotopic Mass398.10017
SMILESCc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(/C=C/CO)OC=C2C1=O
InChIInChI=1S/C21H18O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-10,22-24H,5H2,1-2H3/b4-3+/t21-/m1/s1
InChIKeyNXJNWGPNUAVXHT-YEFOHOTDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (14322541)
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)
Mitorubrinol (CHEBI:218412) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R)-3-[(E)-3-hydroxyprop-1-enyl]-7-methyl-6,8-dioxoisochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
10162825ChemSpider