CHEBI:133853 - azanigerone B

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ChEBI Name azanigerone B
ChEBI ID CHEBI:133853
Definition An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C21H28O6
Net Charge 0
Average Mass 376.444
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-6-12(2)7-13(3)20(25)27-21(5)18(23)10-15-9-16(8-14(4)22)26-11-17(15)19(21)24/h9-14,22H,6-8H2,1-5H3
InChIKey BIATXOJBBJSKDT-UHFFFAOYSA-N
SMILES C1=2C(=CC(C(C1=O)(OC(C(CC(CC)C)C)=O)C)=O)C=C(OC2)CC(O)C
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Biological Role(s): 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.
(via azaphilone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing azanigerone B (CHEBI:133853) has role Aspergillus metabolite (CHEBI:76956)
azanigerone B (CHEBI:133853) is a β-diketone (CHEBI:67265)
azanigerone B (CHEBI:133853) is a 2-benzopyran (CHEBI:38444)
azanigerone B (CHEBI:133853) is a azaphilone (CHEBI:50941)
azanigerone B (CHEBI:133853) is a carboxylic ester (CHEBI:33308)
azanigerone B (CHEBI:133853) is a cyclic ketone (CHEBI:3992)
azanigerone B (CHEBI:133853) is a polyketide (CHEBI:26188)
azanigerone B (CHEBI:133853) is a secondary alcohol (CHEBI:35681)
IUPAC Name
3-(2-hydroxypropyl)-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-7-yl 2,4-dimethylhexanoate
Registry Number Type Source
22929034 Reaxys Registry Number Reaxys
Citation Type Source
22921072 PubMed citation Europe PMC
Last Modified
02 March 2017