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CHEBI:221753 - Oocydin A

ChEBI IDCHEBI:221753
ChEBI NameOocydin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31ClO8
Net Charge0
Average Mass470.946
Monoisotopic Mass470.17075
SMILESCC(=O)OC1CC(=O)O[C@H]2C[C@H](CC/C(Cl)=C\C/C=C\1C)O[C@H]2[C@@H](O)/C=C(\C)CC(=O)O
InChIInChI=1S/C23H31ClO8/c1-13(10-21(27)28)9-18(26)23-20-11-17(31-23)8-7-16(24)6-4-5-14(2)19(30-15(3)25)12-22(29)32-20/h5-6,9,17-20,23,26H,4,7-8,10-12H2,1-3H3,(H,27,28)/b13-9+,14-5-,16-6+/t17-,18-,19?,20-,23-/m0/s1
InChIKeyOAWOFENLLWPBEQ-AQHKLOSRSA-N
Species of MetaboliteComponentSourceComments
Serratia marcescens (ncbitaxon:615) - PubMed (10627053)
ChEBI Ontology
Outgoing Relation(s)
Oocydin A (CHEBI:221753) is a macrolide (CHEBI:25106)
IUPAC Name 
(E,5S)-5-[(1S,6Z,9E,13S,15S)-5-acetyloxy-10-chloro-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid