CHEBI:227253 - Oxaspirol D

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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 Oxaspirol D
ChEBI ID CHEBI:227253
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O6
Net Charge 0
Average Mass 324.373
Monoisotopic Mass 324.15729
InChI InChI=1S/C17H24O6/c1-3-4-5-6-7-8-11-9-10-12(18)13(19)17(11)14(20)16(2,22)23-15(17)21/h5-14,18-20,22H,3-4H2,1-2H3/b6-5+,8-7+/t11-,12-,13+,14+,16+,17?/m1/s1
InChIKey AYLNONFLEIPHJO-URHBMWSTSA-N
SMILES O=C1O[C@@](O)(C)[C@@H](C12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/C=C/CCC)O
Metabolite of Species Details
Coniochaeta (NCBI:txid79808) See: PubMed
ChEBI Ontology
Outgoing Oxaspirol D (CHEBI:227253) is a γ-lactone (CHEBI:37581)
IUPAC Name
(3S,4R,6R,7R,10R)-10-[(1E,3E)-hepta-1,3-dienyl]-3,4,6,7-tetrahydroxy-3-methyl-2-oxaspiro[4.5]dec-8-en-1-one
Manual Xref Database
78443314 ChemSpider
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