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CHEBI:221180 - Xylallantin A

ChEBI IDCHEBI:221180
ChEBI NameXylallantin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESC=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC[C@]4([C@@H]3C(C)(C)[C@H](O)C[C@@H]4O)[C@@]2(O)CC1
InChIInChI=1S/C20H30O6/c1-5-17(4)6-7-19(24)11(9-17)14(23)20(25)15-16(2,3)12(21)8-13(22)18(15,19)10-26-20/h5,9,12-15,21-25H,1,6-8,10H2,2-4H3/t12-,13+,14-,15+,17+,18+,19-,20-/m1/s1
InChIKeyKBZWSAUHZYLKEL-DXKGPJGWSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.phytol.2014.01.011)
ChEBI Ontology
Outgoing Relation(s)
Xylallantin A (CHEBI:221180) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,5R,8R,9S,10S,12R,14S)-5-ethenyl-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-2,8,9,12,14-pentol
Manual XrefsDatabases
78442054ChemSpider