CHEBI:167909 - asnovolin I

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ChEBI Name asnovolin I
ChEBI ID CHEBI:167909
Definition A meroterpenoid with formula C25H34O6 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.
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C25H34O6
Net Charge 0
Average Mass 430.541
Monoisotopic Mass 430.23554
InChI InChI=1S/C25H34O6/c1-13-8-9-16-22(4,5)30-17(26)10-11-24(16,7)25(13)12-23(6)15(3)18(21(28)29)19(27)14(2)20(23)31-25/h13,16H,8-12H2,1-7H3,(H,28,29)/t13-,16-,23+,24-,25-/m0/s1
InChIKey CQIYAXMUJHIADR-CQOOHDILSA-N
SMILES [H][C@@]12CC[C@H](C)[C@@]3(C[C@@]4(C)C(O3)=C(C)C(=O)C(C(O)=O)=C4C)[C@@]1(C)CCC(=O)OC2(C)C
Metabolite of Species Details
Aspergillus novofumigatus IBT 16806 (NCBI:txid1392255) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 I (CHEBI:167909) has role Aspergillus metabolite (CHEBI:76956)
asnovolin I (CHEBI:167909) is a ε-lactone (CHEBI:50239)
asnovolin I (CHEBI:167909) is a cyclic ketone (CHEBI:3992)
asnovolin I (CHEBI:167909) is a meroterpenoid (CHEBI:64419)
asnovolin I (CHEBI:167909) is a monocarboxylic acid (CHEBI:25384)
asnovolin I (CHEBI:167909) is a organic heterotetracyclic compound (CHEBI:38163)
asnovolin I (CHEBI:167909) is conjugate acid of asnovolin I(1−) (CHEBI:167684)
Incoming asnovolin I(1−) (CHEBI:167684) is conjugate base of asnovolin I (CHEBI:167909)
IUPAC Name
(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-carboxylic acid
Citation Type Source
29968715 PubMed citation Europe PMC
Last Modified
09 April 2021