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CHEBI:133856 - azanigerone E

ChEBI IDCHEBI:133856
ChEBI Nameazanigerone E
Stars
DefinitionAn azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
Last Modified6 February 2018
SubmitterJubra
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC(O)CC1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1
InChIInChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-11(15)13(2,17)12(16)10(8)6-18-9/h4-7,14,17H,3H2,1-2H3
InChIKeyHKWLGNSOBJZTNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (22921072)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
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)
azanigerone E (CHEBI:133856) has role Aspergillus metabolite (CHEBI:76956)
azanigerone E (CHEBI:133856) is a 2-benzopyran (CHEBI:38444)
azanigerone E (CHEBI:133856) is a azaphilone (CHEBI:50941)
azanigerone E (CHEBI:133856) is a cyclic ketone (CHEBI:3992)
azanigerone E (CHEBI:133856) is a polyketide (CHEBI:26188)
azanigerone E (CHEBI:133856) is a secondary alcohol (CHEBI:35681)
azanigerone E (CHEBI:133856) is a tertiary alcohol (CHEBI:26878)
azanigerone E (CHEBI:133856) is a tertiary α-hydroxy ketone (CHEBI:139592)
azanigerone E (CHEBI:133856) is a β-diketone (CHEBI:67265)
IUPAC Name 
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
Registry NumbersSources
Reaxys:22929037Reaxys
Citations