CHEBI:200808 - Cochliomycin A

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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 Cochliomycin A
ChEBI ID CHEBI:200808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.459
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5?/t13-,16-,18-,20-/m0/s1
InChIKey JMSMAQNHTBWNAJ-XVIFUSKMSA-N
SMILES O=C1O[C@H](CC=C[C@@H]2OC(C)(C)O[C@H]2[C@H](CC=CC=3C1=C(O)C=C(OC)C3)O)C
Metabolite of Species Details
Curvularia lunata (NCBI:txid5503) See: PubMed
ChEBI Ontology
Outgoing Cochliomycin A (CHEBI:200808) is a macrolide (CHEBI:25106)
IUPAC Name
(2E,5S,6S,10S,14S)-5,18-dihydroxy-20-methoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one