CHEBI:167683 - asnovolin J

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ChEBI Name asnovolin J
ChEBI ID CHEBI:167683
Definition A meroterpenoid with formula C26H38O5 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C26H38O5
Net Charge 0
Average Mass 430.585
Monoisotopic Mass 430.27192
InChI InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)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)31-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1
InChIKey XKJJMXDQESYKLS-IGZQQFENSA-N
SMILES [H][C@@]1([C@H](C)[C@@]2(C)C[C@]3(OC2=C(C)C1=O)[C@@H](C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]31C)C(=O)OC
Metabolite of Species Details
Aspergillus novofumigatus IBT 16806 (NCBI:txid1392255) See: PubMed
Roles Classification
Biological Role(s): 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.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing asnovolin J (CHEBI:167683) has role Aspergillus metabolite (CHEBI:76956)
asnovolin J (CHEBI:167683) is a cyclic ketone (CHEBI:3992)
asnovolin J (CHEBI:167683) is a meroterpenoid (CHEBI:64419)
asnovolin J (CHEBI:167683) is a methyl ester (CHEBI:25248)
asnovolin J (CHEBI:167683) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
methyl (1'S,2'S,3aR,4S,4a'R,5S,8a'S)-2',3a,4,5',5',7,8a'-heptamethyl-6,6'-dioxo-3',3a,4,4',4a',5,5',6,6',7',8',8a'-dodecahydro-2'H,3H-spiro[[1]benzofuran-2,1'-naphthalene]-5-carboxylate
Synonym Source
asnovolin J UniProt
Citation Type Source
29968715 PubMed citation SUBMITTER
Last Modified
09 April 2021