CHEBI:69463 - 10-acetylirciformonin B

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ChEBI Name 10-acetylirciformonin B
ChEBI ID CHEBI:69463
Definition A natural product found in Ircinia species.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000072139951
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.52320
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-17(6-5-7-20-11-13-28-16-20)14-21(29-19(3)25)15-18(2)8-9-22(26)24(4)12-10-23(27)30-24/h6,11,13,15-16,21-22,26H,5,7-10,12,14H2,1-4H3/b17-6+,18-15+/t21-,22+,24-/m0/s1
InChIKey RGTRQKDHOCMNQZ-PRBWFTGVSA-N
SMILES CC(=O)O[C@@H](C\C(C)=C\CCc1ccoc1)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1
Metabolite of Species Details
Ircinia (NCBI:txid275431) EtOAc extract of freeze-dried specimen See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 10-acetylirciformonin B (CHEBI:69463) has role metabolite (CHEBI:25212)
10-acetylirciformonin B (CHEBI:69463) is a terpene lactone (CHEBI:37668)
Synonym Source
(3E,6S,7E,11R)-1-(3-Furyl)-11-hydroxy-4,8-dimethyl-11-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]-3,7-undecadien-6-yl acetate ChEBI
Citation Waiting for Citations
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:long-chain fatty alcohol(CHEBI:17135); ISA:carboxylic ester(CHEBI:33308); ISA:dicarboxylic acid(CHEBI:35692); ISA:gamma-lactone(CHEBI:37581); ISA:furans(CHEBI:24129); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);