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CHEBI:50943 - mitorubrin

ChEBI IDCHEBI:50943
ChEBI Namemitorubrin
Stars
DefinitionAn azaphilone that is 7,8-dihydro-6H-2-benzopyran substituted by a methyl group at position 7, oxo groups at positions 6 and 8, a propenyl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 7.
Last Modified26 May 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESC/C=C/C1=CC2=CC(=O)C(C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C2=CO1
InChIInChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+
InChIKeyZLULUXWJVBHEMS-SNAWJCMRSA-N
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)
mitorubrin (CHEBI:50943) is a azaphilone (CHEBI:50941)
mitorubrin (CHEBI:50943) is a β-diketone (CHEBI:67265)
Incoming Relation(s)
(+)-mitorubrin (CHEBI:50944) is a mitorubrin (CHEBI:50943)
(−)-mitorubrin (CHEBI:50945) is a mitorubrin (CHEBI:50943)
IUPAC Name 
7-methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-7,8-dihydro-6H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
Registry NumbersSources
Reaxys:1299673Reaxys