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CHEBI:199878 - Oxirapentyn I

ChEBI IDCHEBI:199878
ChEBI NameOxirapentyn I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O8
Net Charge0
Average Mass370.398
Monoisotopic Mass370.16277
SMILESC=C(C)C#C[C@@]1(O)[C@@H](O)[C@H](O)[C@]2(OC(C)=O)C[C@@H](O)C(C)(C)O[C@H]2[C@@H]1O
InChIInChI=1S/C18H26O8/c1-9(2)6-7-17(24)12(21)13(22)18(25-10(3)19)8-11(20)16(4,5)26-15(18)14(17)23/h11-15,20-24H,1,8H2,2-5H3/t11-,12+,13+,14+,15+,17-,18-/m1/s1
InChIKeyLBFSPVGODSZUPR-HNBVCVGOSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (24911656)
ChEBI Ontology
Outgoing Relation(s)
Oxirapentyn I (CHEBI:199878) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3R,4aR,5S,6S,7R,8S,8aS)-3,5,6,7,8-pentahydroxy-2,2-dimethyl-7-(3-methylbut-3-en-1-ynyl)-3,4,5,6,8,8a-hexahydrochromen-4a-yl] acetate
Manual XrefsDatabases
32674937ChemSpider