CHEBI:203959 - Oxirapentyn K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Oxirapentyn K
ChEBI ID CHEBI:203959
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H24O7
Net Charge 0
Average Mass 352.383
Monoisotopic Mass 352.15220
InChI InChI=1S/C18H24O7/c1-8(19)22-10-7-18-14(24-17(10,4)5)12(21)11-9(20)6-16(2,3)23-13(11)15(18)25-18/h10,12,14-15,21H,6-7H2,1-5H3/t10-,12-,14+,15+,18-/m1/s1
InChIKey QTHPDXJRVSEFDY-FYEODOKUSA-N
SMILES O=C1C2=C(OC(C1)(C)C)[C@@H]3O[C@@]34C[C@@H](OC(=O)C)C(O[C@H]4[C@@H]2O)(C)C
Metabolite of Species Details
Isaria (NCBI:txid72232) See: PubMed
ChEBI Ontology
Outgoing Oxirapentyn K (CHEBI:203959) is a pyranone (CHEBI:37963)
IUPAC Name
[(1R,3S,10R,11S,14R)-10-hydroxy-6,6,13,13-tetramethyl-8-oxo-2,5,12-trioxatetracyclo[9.4.0.01,3.04,9]pentadec-4(9)-en-14-yl] acetate
Manual Xref Database
32674939 ChemSpider
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