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CHEBI:197785 - Cochleamycin A

ChEBI IDCHEBI:197785
ChEBI NameCochleamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCC(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@H](O)C[C@@H]4CC(=O)/C(=C/[C@H]3[C@@H]2C[C@H]1C)C(=O)O4
InChIInChI=1S/C21H26O6/c1-10-5-17-15(20(10)26-11(2)22)4-3-12-6-13(23)7-14-8-19(24)18(9-16(12)17)21(25)27-14/h3-4,9-10,12-17,20,23H,5-8H2,1-2H3/b18-9-/t10-,12+,13+,14-,15-,16-,17-,20-/m1/s1
InChIKeyNQXQKOWVFXXLJS-MMCQDFOUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8626237)
ChEBI Ontology
Outgoing Relation(s)
Cochleamycin A (CHEBI:197785) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1Z,3R,4S,6R,7R,8R,11R,13S,15R)-13-hydroxy-6-methyl-17,18-dioxo-16-oxatetracyclo[13.2.2.03,11.04,8]nonadeca-1,9-dien-7-yl] acetate
Manual XrefsDatabases
8537487ChemSpider