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CHEBI:133836 - yanuthone H

ChEBI IDCHEBI:133836
ChEBI Nameyanuthone H
Stars
DefinitionA class I yanuthone that is 22-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A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.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
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O)CO
InChIInChI=1S/C22H32O5/c1-15(7-5-9-17(3)13-23)6-4-8-16(2)10-11-22-19(25)12-18(14-24)20(26)21(22)27-22/h6,9-10,12,20-21,23-24,26H,4-5,7-8,11,13-14H2,1-3H3/b15-6+,16-10+,17-9+/t20-,21-,22+/m1/s1
InChIKeyJFWIMUNOFLJXJN-LNMFWHCUSA-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 H (CHEBI:133836) has functional parent 22-deacetylyanuthone A (CHEBI:133844)
yanuthone H (CHEBI:133836) has role Aspergillus metabolite (CHEBI:76956)
yanuthone H (CHEBI:133836) is a class I yanuthone (CHEBI:133075)
yanuthone H (CHEBI:133836) is a triol (CHEBI:27136)
IUPAC Name 
(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Registry NumbersSources
Reaxys:27020143Reaxys
Citations