CHEBI:133835 - yanuthone F

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name yanuthone F
ChEBI ID CHEBI:133835
Definition A class I yanuthone that is 7-deacetoxyyanuthone A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.488
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-15(8-6-10-17(3)14-23)7-5-9-16(2)11-12-22-19(24)13-18(4)20(25)21(22)26-22/h7,10-11,13,20-21,23,25H,5-6,8-9,12,14H2,1-4H3/b15-7+,16-11+,17-10+/t20-,21-,22+/m1/s1
InChIKey QJQOZQGLFNQSKQ-TVXDRXDOSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)C)=O)/CC/C=C(\C)/CO
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) 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 yanuthone F (CHEBI:133835) has functional parent 7-deacetoxyyanuthone A (CHEBI:133843)
yanuthone F (CHEBI:133835) has role Aspergillus metabolite (CHEBI:76956)
yanuthone F (CHEBI:133835) is a class I yanuthone (CHEBI:133075)
yanuthone F (CHEBI:133835) is a primary alcohol (CHEBI:15734)
yanuthone F (CHEBI:133835) is a secondary alcohol (CHEBI:35681)
Incoming yanuthone G (CHEBI:133839) has functional parent yanuthone F (CHEBI:133835)
IUPAC Name
(1R,5R,6R)-5-hydroxy-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Registry Number Type Source
27020140 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24684908 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
Last Modified
21 November 2016