CHEBI:199221 - Cytospolide I

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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 Cytospolide I
ChEBI ID CHEBI:199221
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O6
Net Charge 0
Average Mass 328.405
Monoisotopic Mass 328.18859
InChI InChI=1S/C17H28O6/c1-11(22-13(3)18)7-6-10-16-15(20)9-5-4-8-14(19)12(2)17(21)23-16/h4,8,11-12,14-16,19-20H,5-7,9-10H2,1-3H3/b8-4+/t11-,12+,14+,15-,16+/m0/s1
InChIKey OQYOXNVWVYVMKJ-DLCLIBPNSA-N
SMILES O=C1O[C@@H]([C@@H](O)CCC=C[C@H]([C@H]1C)O)CCC[C@@H](OC(=O)C)C
Metabolite of Species Details
Cytosporaspecies (NCBI:txid1715226) See: PubMed
ChEBI Ontology
Outgoing Cytospolide I (CHEBI:199221) is a oxacycle (CHEBI:38104)
IUPAC Name
[(2S)-5-[(2R,3S,6E,8R,9R)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentan-2-yl] acetate
Manual Xref Database
78436476 ChemSpider
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