CHEBI:133844 - 22-deacetylyanuthone A

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ChEBI Name 22-deacetylyanuthone A
ChEBI ID CHEBI:133844
Definition A class I yanuthone that is 7-deacetoxyyanuthone A in which the methyl group attached to the epoxy-cyclohexenone ring has been oxidised to the corresponding hydroxymethyl 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(2)7-5-8-16(3)9-6-10-17(4)11-12-22-19(24)13-18(14-23)20(25)21(22)26-22/h7,9,11,13,20-21,23,25H,5-6,8,10,12,14H2,1-4H3/b16-9+,17-11+/t20-,21-,22+/m1/s1
InChIKey NXKIAZOEVGWPKT-UXNGKKSFSA-N
SMILES C/C(=C\CC\C(\C)=C\C[C@]12C(C=C([C@H]([C@H]1O2)O)CO)=O)/CCC=C(C)C
Metabolite of Species Details
Gliomastix sp. ZSDS1-F7 (NCBI:txid1769178) The fungus Gliomastix sp. ZSDS1-F7 was isolated from the sponge Phakellia fusca See: PubMed
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 22-deacetylyanuthone A (CHEBI:133844) has functional parent 7-deacetoxyyanuthone A (CHEBI:133843)
22-deacetylyanuthone A (CHEBI:133844) has role Aspergillus metabolite (CHEBI:76956)
22-deacetylyanuthone A (CHEBI:133844) is a class I yanuthone (CHEBI:133075)
22-deacetylyanuthone A (CHEBI:133844) is a primary alcohol (CHEBI:15734)
22-deacetylyanuthone A (CHEBI:133844) is a secondary alcohol (CHEBI:35681)
Incoming yanuthone E (CHEBI:133840) has functional parent 22-deacetylyanuthone A (CHEBI:133844)
yanuthone H (CHEBI:133836) has functional parent 22-deacetylyanuthone A (CHEBI:133844)
IUPAC Name
(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Registry Number Type Source
8729636 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11031048 PubMed citation Europe PMC
24684908 PubMed citation Europe PMC
25293978 PubMed citation Europe PMC
27417331 PubMed citation Europe PMC
Last Modified
21 November 2016