CHEBI:207209 - Berkeleylactone C

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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 Berkeleylactone C
ChEBI ID CHEBI:207209
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H30O8
Net Charge 0
Average Mass 398.452
Monoisotopic Mass 398.19407
InChI InChI=1S/C20H30O8/c1-14-15(21)8-6-4-2-3-5-7-9-17(16(22)10-12-19(25)27-14)28-20(26)13-11-18(23)24/h10,12,14-15,17,21H,2-9,11,13H2,1H3,(H,23,24)/t14-,15+,17+/m1/s1
InChIKey OMAWGNJHHJSGDZ-VYDXJSESSA-N
SMILES O=C1O[C@@H]([C@@H](O)CCCCCCCC[C@@H](C(C=C1)=O)OC(=O)CCC(=O)O)C
ChEBI Ontology
Outgoing Berkeleylactone C (CHEBI:207209) is a macrolide (CHEBI:25106)
IUPAC Name
4-[[(6S,15S,16R)-15-hydroxy-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid