CHEBI:200156 - Oxirapentyn J

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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 J
ChEBI ID CHEBI:200156
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/c1-9(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
InChIKey YEVXWXYWRGCTIU-HNBVCVGOSA-N
SMILES O=C(O[C@H]1C(O[C@H]2[C@@H]3O[C@]3(C#CC(=C)C)[C@H]([C@@H]([C@@]2(C1)O)O)O)(C)C)C
Metabolite of Species Details
Isaria (NCBI:txid72232) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
32674938 ChemSpider
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