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CHEBI:207343 - Haterumalide X

ChEBI IDCHEBI:207343
ChEBI NameHaterumalide X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO7
Net Charge0
Average Mass452.931
Monoisotopic Mass452.16018
SMILESCC(=O)O[C@H]1CC(=O)OC2C[C@H](CC/C(Cl)=C\C/C=C\1C)O[C@H]2[C@H]1C=C(C)CC(=O)O1
InChIInChI=1S/C23H29ClO7/c1-13-9-19(30-21(26)10-13)23-20-11-17(29-23)8-7-16(24)6-4-5-14(2)18(28-15(3)25)12-22(27)31-20/h5-6,9,17-20,23H,4,7-8,10-12H2,1-3H3/b14-5-,16-6+/t17-,18-,19+,20?,23-/m0/s1
InChIKeyPJEGJKFSPOTQNK-DMXFVVQCSA-N
Species of MetaboliteComponentSourceComments
Serratia plymuthica (ncbitaxon:82996) - DOI (10.1016/j.soilbio.2003.12.008)
ChEBI Ontology
Outgoing Relation(s)
Haterumalide X (CHEBI:207343) is a macrolide (CHEBI:25106)
IUPAC Name 
[(5S,6Z,9E,13S,15R)-10-chloro-6-methyl-15-[(2R)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-5-yl] acetate