CHEBI:181926 - Luffariellolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Luffariellolide
ChEBI ID CHEBI:181926
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O3
Net Charge 0
Average Mass 386.576
Monoisotopic Mass 386.28210
InChI InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKey JPWPYTMXSXYUPG-QZPYEDBESA-N
SMILES O1C(O)C(CC\C=C(\CC\C=C(\CCC=2C(CCCC2C)(C)C)/C)/C)=CC1=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Luffariellolide (CHEBI:181926) is a diterpene lactone (CHEBI:49193)
IUPAC Name
3-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2-hydroxy-2H-uran-5-one
Manual Xrefs Databases
4533821 ChemSpider
C19901 KEGG COMPOUND
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Registry Number Type Source
111149-87-2 CAS Registry Number ChemIDplus