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CHEBI:133837 - yanuthone I

ChEBI IDCHEBI:133837
ChEBI Nameyanuthone I
Stars
DefinitionA class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer).
Last Modified21 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESC/C(=C\C[C@@]12O[C@@H]1[C@H](O)C(CO)=CC2=O)CCCC(C)C(=O)O
InChIInChI=1S/C17H24O6/c1-10(4-3-5-11(2)16(21)22)6-7-17-13(19)8-12(9-18)14(20)15(17)23-17/h6,8,11,14-15,18,20H,3-5,7,9H2,1-2H3,(H,21,22)/b10-6+/t11?,14-,15-,17+/m1/s1
InChIKeyAKKLRAIOYFECEG-BQPVOTJVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (24684908)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 I (CHEBI:133837) has role Aspergillus metabolite (CHEBI:76956)
yanuthone I (CHEBI:133837) is a class I yanuthone (CHEBI:133075)
yanuthone I (CHEBI:133837) is a monocarboxylic acid (CHEBI:25384)
yanuthone I (CHEBI:133837) is a primary alcohol (CHEBI:15734)
yanuthone I (CHEBI:133837) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(6E)-8-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2,6-dimethyloct-6-enoic acid
Registry NumbersSources
Reaxys:27020144Reaxys
Citations