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CHEBI:199749 - Oxirapentyn E

ChEBI IDCHEBI:199749
ChEBI NameOxirapentyn E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O5
Net Charge0
Average Mass292.331
Monoisotopic Mass292.13107
SMILESC=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](O)C[C@@]13O[C@H]3[C@@H]2O
InChIInChI=1S/C16H20O5/c1-8(2)5-6-15-10(18)11-16(20-11)7-9(17)14(3,4)19-13(16)12(15)21-15/h9-13,17-18H,1,7H2,2-4H3/t9-,10+,11+,12+,13+,15-,16+/m1/s1
InChIKeyUCUFIMOWPPZTQT-YHNOVQDZSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - DOI (10.1007/s10600-013-0764-0)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn E (CHEBI:199749) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,3S,4S,5R,7S,8S,11R)-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecane-4,11-diol
Manual XrefsDatabases
78436145ChemSpider