CHEBI:133843 - 7-deacetoxyyanuthone A

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ChEBI Name 7-deacetoxyyanuthone A
ChEBI ID CHEBI:133843
Definition A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-methylcyclohex-2-en-1-one which is substituted at position 6 by an (E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group (the R,R,R stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.489
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22-19(23)14-18(5)20(24)21(22)25-22/h8,10,12,14,20-21,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22+/m1/s1
InChIKey DKOXVDVXOYHFHV-ITGDQCKOSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)C)=O)/CCC=C(C)C
Metabolite of Species Details
Gliomastix sp. ZSDS1-F7 (NCBI:txid1769178) The fungus Gliomastix sp. ZSDS1-F7 was isolated from the sponge Phakellia fusca See: PubMed
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Penicillium chrysogenum (NCBI:txid5076) See: PubMed
Penicillium sp. (NCBI:txid5081) 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 7-deacetoxyyanuthone A (CHEBI:133843) has role Aspergillus metabolite (CHEBI:76956)
7-deacetoxyyanuthone A (CHEBI:133843) is a class I yanuthone (CHEBI:133075)
7-deacetoxyyanuthone A (CHEBI:133843) is a secondary alcohol (CHEBI:35681)
Incoming 22-deacetylyanuthone A (CHEBI:133844) has functional parent 7-deacetoxyyanuthone A (CHEBI:133843)
yanuthone F (CHEBI:133835) has functional parent 7-deacetoxyyanuthone A (CHEBI:133843)
yanuthone K (CHEBI:133035) has functional parent 7-deacetoxyyanuthone A (CHEBI:133843)
IUPAC Name
(1R,5R,6R)-5-hydroxy-4-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Registry Number Type Source
9804191 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14640527 PubMed citation Europe PMC
15974609 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
27417331 PubMed citation Europe PMC
Last Modified
21 November 2016