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CHEBI:184475 - Xeniolit A

ChEBI IDCHEBI:184475
ChEBI NameXeniolit A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12COC(=O)/C(=C/C=C/C(C)(C)O)[C@@]1([H])CC/C(C)=C/[C@H](O)CC2=C
InChIInChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10+,17-6+/t15-,16+,18-/m0/s1
InChIKeyZHNTWXWAMWPYNI-ISMBWBSXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Xeniolit A (CHEBI:184475) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4E,4aS,7E,9R,11aR)-9-hydroxy-4-[(E)-4-hydroxy-4-methylpent-2-enylidene]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-3-one
Manual XrefsDatabases
10236065ChemSpider