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CHEBI:223927 - Xylarenolide

ChEBI IDCHEBI:223927
ChEBI NameXylarenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC[C@]1(CC(=O)O)CCC2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1
InChIInChI=1S/C20H28O5/c1-17(11-14(21)22)7-8-20(24)12(10-17)9-13-15-18(2,16(23)25-13)5-4-6-19(15,20)3/h9,13,15,24H,4-8,10-11H2,1-3H3,(H,21,22)/t13-,15+,17+,18+,19+,20?/m1/s1
InChIKeyXFTJQOUMCHXWOF-TYERUNLFSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1002/hlca.200900296)
ChEBI Ontology
Outgoing Relation(s)
Xylarenolide (CHEBI:223927) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
2-[(1S,5S,9R,12S,16R)-2-hydroxy-1,5,12-trimethyl-11-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-5-yl]acetic acid
Manual XrefsDatabases
78441212ChemSpider