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CHEBI:211229 - Cochliomycin B

Default Structure
ChEBI IDCHEBI:211229
ChEBI NameCochliomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILESCOc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1[C@@H](O)/C=C/C[C@H](C)OC2=O
InChIInChI=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
InChIKeyZJDKHUDTMNOVOT-PZUGFNCNSA-N
Species of MetaboliteComponentSourceComments
Curvularia lunata (ncbitaxon:5503) - PubMed (21348465)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
27025462ChemSpider