CHEBI:133836 - yanuthone H

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ChEBI Name yanuthone H
ChEBI ID CHEBI:133836
Definition A 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A in which one of the hydrogens of the trans-terminal methyl groups of the sesquiterpenoid side-chain has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.487
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey JFWIMUNOFLJXJN-LNMFWHCUSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=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 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 Number Type Source
27020143 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