CHEBI:211229 - Cochliomycin B

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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 B
ChEBI ID CHEBI:211229
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/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8-9,11-13,16,18,20,23-24H,7,10H2,1-4H3/b8-6+,9-5+/t13-,16-,18-,20+/m0/s1
InChIKey ZJDKHUDTMNOVOT-PZUGFNCNSA-N
SMILES O=C1O[C@H](CC=C[C@H](O)[C@H]2OC(O[C@H]2CC=CC=3C1=C(O)C=C(OC)C3)(C)C)C
Metabolite of Species Details
Curvularia lunata (NCBI:txid5503) See: PubMed
ChEBI Ontology
Outgoing Cochliomycin B (CHEBI:211229) is a macrolide (CHEBI:25106)
IUPAC Name
(2E,5S,9R,10S,11E,14S)-10,18-dihydroxy-20-methoxy-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
Manual Xref Database
27025462 ChemSpider
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