CHEBI:133856 - azanigerone E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name azanigerone E
ChEBI ID CHEBI:133856
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C13H14O5
Net Charge 0
Average Mass 250.248
Monoisotopic Mass 250.08412
InChI InChI=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
InChIKey HKWLGNSOBJZTNG-UHFFFAOYSA-N
SMILES C1=2C(=CC(C(C1=O)(O)C)=O)C=C(OC2)CC(C)O
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 E (CHEBI:133856) has role Aspergillus metabolite (CHEBI:76956)
azanigerone E (CHEBI:133856) is a β-diketone (CHEBI:67265)
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 α-hydroxy ketone (CHEBI:139592)
azanigerone E (CHEBI:133856) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
Registry Number Type Source
22929037 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22921072 PubMed citation Europe PMC
Last Modified
06 February 2018