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CHEBI:199907 - Cochleamycin A2

ChEBI IDCHEBI:199907
ChEBI NameCochleamycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCC(C)C(=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/C23H30O6/c1-11(2)22(26)29-21-12(3)6-18-16(21)5-4-13-7-14(24)8-15-9-20(25)19(10-17(13)18)23(27)28-15/h4-5,10-18,21,24H,6-9H2,1-3H3/t12-,13+,14+,15-,16-,17-,18-,21-/m1/s1
InChIKeyMZJTYQKDPUVKJE-GLWFXHANSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8626237)
ChEBI Ontology
Outgoing Relation(s)
Cochleamycin A2 (CHEBI:199907) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(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] 2-methylpropanoate