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CHEBI:133783 - pyranonigrin H

ChEBI IDCHEBI:133783
ChEBI Namepyranonigrin H
Stars
DefinitionA member of the class of pyranopyrroles with formula C18H23NO5, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC18H23NO5
Net Charge0
Average Mass333.384
Monoisotopic Mass333.15762
SMILESCCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)N(C)C2CO
InChIInChI=1S/C18H23NO5/c1-3-4-5-6-7-8-9-10-13-15(21)16(22)14-17(24-13)12(11-20)19(2)18(14)23/h7-10,12,20-21H,3-6,11H2,1-2H3/b8-7+,10-9+
InChIKeyBDMFEHJNZSYQCD-XBLVEGMJSA-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 H (CHEBI:133783) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin H (CHEBI:133783) has role marine metabolite (CHEBI:76507)
pyranonigrin H (CHEBI:133783) is a cyclic ketone (CHEBI:3992)
pyranonigrin H (CHEBI:133783) is a enol (CHEBI:33823)
pyranonigrin H (CHEBI:133783) is a primary alcohol (CHEBI:15734)
pyranonigrin H (CHEBI:133783) is a pyranopyrrole (CHEBI:133874)
pyranonigrin H (CHEBI:133783) is a γ-lactam (CHEBI:74222)
IUPAC Name 
3-hydroxy-7-(hydroxymethyl)-6-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Citations