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CHEBI:223213 - Oxirapentyn B

ChEBI IDCHEBI:223213
ChEBI NameOxirapentyn B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6
Net Charge0
Average Mass334.368
Monoisotopic Mass334.14164
SMILESC=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@@]13O[C@H]3[C@@H]2O
InChIInChI=1S/C18H22O6/c1-9(2)6-7-17-12(20)13-18(23-13)8-11(21-10(3)19)16(4,5)22-15(18)14(17)24-17/h11-15,20H,1,8H2,2-5H3/t11-,12+,13+,14+,15+,17-,18+/m1/s1
InChIKeyVGZXBCOMJPJROH-IDQSBKRMSA-N
Species of MetaboliteComponentSourceComments
Beauveria felina (ncbitaxon:37994) - DOI (10.1016/j.phytol.2011.12.002)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn B (CHEBI:223213) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,3S,4S,5R,7S,8S,11R)-4-hydroxy-10,10-dimethyl-5-(3-methylbut-3-en-1-ynyl)-2,6,9-trioxatetracyclo[6.4.0.01,3.05,7]dodecan-11-yl] acetate
Manual XrefsDatabases
29214721ChemSpider