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CHEBI:200156 - Oxirapentyn J

ChEBI IDCHEBI:200156
ChEBI NameOxirapentyn J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O7
Net Charge0
Average Mass352.383
Monoisotopic Mass352.15220
SMILESC=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@@]1(O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C18H24O7/c1-9(2)6-7-18-13(21)12(20)17(22)8-11(23-10(3)19)16(4,5)24-14(17)15(18)25-18/h11-15,20-22H,1,8H2,2-5H3/t11-,12+,13+,14+,15+,17-,18-/m1/s1
InChIKeyYEVXWXYWRGCTIU-HNBVCVGOSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (24911656)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn J (CHEBI:200156) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1aR,2S,3S,3aR,5R,7aS,7bS)-2,3,3a-trihydroxy-6,6-dimethyl-1a-(3-methylbut-3-en-1-ynyl)-2,3,4,5,7a,7b-hexahydrooxireno[2,3-h]chromen-5-yl] acetate
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32674938ChemSpider