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CHEBI:133835 - yanuthone F

ChEBI IDCHEBI:133835
ChEBI Nameyanuthone F
Stars
DefinitionA 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A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.
Last Modified21 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O[C@@H]2[C@@H]1O
InChIInChI=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
InChIKeyQJQOZQGLFNQSKQ-TVXDRXDOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (24684908)
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)
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 Relation(s)
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 NumbersSources
Reaxys:27020140Reaxys
Citations