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CHEBI:167685 - asnovolin K

ChEBI IDCHEBI:167685
ChEBI Nameasnovolin K
Stars
DefinitionA meroterpenoid with formula C26H36O6 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.
Last Modified9 April 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
SMILES[H][C@@]12CC[C@H](C)[C@@]3(C[C@]4(C)C(C)=C(C(=O)OC)C(=O)C(C)=C4O3)[C@@]1(C)CCC(=O)OC2(C)C
InChIInChI=1S/C26H36O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,17H,9-13H2,1-8H3/t14-,17-,24+,25-,26-/m0/s1
InChIKeyYQWBCSIREWBSHS-MNKLQMRISA-N
Species of MetaboliteComponentSourceComments
Aspergillus novofumigatus IBT 16806 (ncbitaxon:1392255) - PubMed (29968715)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
asnovolin K (CHEBI:167685) has role Aspergillus metabolite (CHEBI:76956)
asnovolin K (CHEBI:167685) is a cyclic ketone (CHEBI:3992)
asnovolin K (CHEBI:167685) is a meroterpenoid (CHEBI:64419)
asnovolin K (CHEBI:167685) is a methyl ester (CHEBI:25248)
asnovolin K (CHEBI:167685) is a organic heterotetracyclic compound (CHEBI:38163)
asnovolin K (CHEBI:167685) is a ε-lactone (CHEBI:50239)
IUPAC Name 
methyl (2S,3aR,5a'S,7'S,9a'R)-1',1',3a,4,5a',7,7'-heptamethyl-3',6-dioxo-3',3a,4',5',5a',6,7',8',9',9a'-decahydro-1'H,3H-spiro[[1]benzofuran-2,6'-[2]benzoxepine]-5-carboxylate
UniProt Name  Source
asnovolin KUniProt
Citations