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CHEBI:133787 - pyranonigrin E

ChEBI IDCHEBI:133787
ChEBI Namepyranonigrin E
Stars
DefinitionA member of the class of pyranopyrroles with formula C18H21NO4, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILESC=C1c2oc(/C=C/C=C/CCCCC)c(O)c(=O)c2C(=O)N1C
InChIInChI=1S/C18H21NO4/c1-4-5-6-7-8-9-10-11-13-15(20)16(21)14-17(23-13)12(2)19(3)18(14)22/h8-11,20H,2,4-7H2,1,3H3/b9-8+,11-10+
InChIKeyITJJIMKGOLMIJY-BNFZFUHLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (26414728) Strain: AnKW2
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
pyranonigrin E (CHEBI:133787) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin E (CHEBI:133787) has role marine metabolite (CHEBI:76507)
pyranonigrin E (CHEBI:133787) is a cyclic ketone (CHEBI:3992)
pyranonigrin E (CHEBI:133787) is a enol (CHEBI:33823)
pyranonigrin E (CHEBI:133787) is a pyranopyrrole (CHEBI:133874)
pyranonigrin E (CHEBI:133787) is a γ-lactam (CHEBI:74222)
IUPAC Name 
3-hydroxy-6-methyl-7-methylidene-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Registry NumbersSources
Reaxys:27553302Reaxys
Citations