CHEBI:69460 - irciformonin B

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ChEBI Name irciformonin B
ChEBI ID CHEBI:69460
Definition A natural product found in Ircinia species and Ircinia formosana.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000035950662
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.48650
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-16(5-4-6-18-10-12-26-15-18)13-19(23)14-17(2)7-8-20(24)22(3)11-9-21(25)27-22/h5,10,12,14-15,19-20,23-24H,4,6-9,11,13H2,1-3H3/b16-5+,17-14+/t19-,20+,22-/m0/s1
InChIKey RUOCTYFLHGRTMP-LKYGDWGJSA-N
SMILES C\C(C[C@H](O)\C=C(/C)CC[C@@H](O)[C@]1(C)CCC(=O)O1)=C/CCc1ccoc1
Metabolite of Species Details
Ircinia (NCBI:txid275431) EtOAc extract of freeze-dried specimen See: PubMed
Ircinia formosana (WORMS:529745) 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 irciformonin B (CHEBI:69460) has role metabolite (CHEBI:25212)
irciformonin B (CHEBI:69460) is a terpene lactone (CHEBI:37668)
Synonym Source
(5S)-5-[(1R,4E,6S,8E)-11-(furan-3-yl)-1,6-dihydroxy-4,8-dimethylundeca-4,8-dienyl]-5-methyloxolan-2-one 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:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:furans(CHEBI:24129); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);