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CHEBI:198113 - Oxirapentyn D

ChEBI IDCHEBI:198113
ChEBI NameOxirapentyn D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O7
Net Charge0
Average Mass352.383
Monoisotopic Mass352.15220
SMILESC=C(C)C#C[C@]1(O)[C@@H]2O[C@]3(C)O[C@H]1[C@H](O)[C@@]1(C[C@@H](O)C(C)(C)O[C@@H]21)O3
InChIInChI=1S/C18H24O7/c1-9(2)6-7-17(21)12-11(20)18-8-10(19)15(3,4)22-14(18)13(17)24-16(5,23-12)25-18/h10-14,19-21H,1,8H2,2-5H3/t10-,11+,12+,13-,14+,16+,17-,18-/m1/s1
InChIKeyMJQXSOWPXAGTAX-QTCMRCDBSA-N
Species of MetaboliteComponentSourceComments
Beauveria felina (ncbitaxon:37994) - DOI (10.1016/j.phytol.2011.12.002)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn D (CHEBI:198113) is a ortho ester (CHEBI:71989)
IUPAC Name 
(1R,3R,6S,7R,9S,11S,12S,14R)-4,4,9-trimethyl-14-(3-methylbut-3-en-1-ynyl)-5,8,10,13-tetraoxatetracyclo[7.3.1.17,11.01,6]tetradecane-3,12,14-triol
Manual XrefsDatabases
29214723ChemSpider