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CHEBI:205456 - Bafilomycin H

ChEBI IDCHEBI:205456
ChEBI NameBafilomycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62O9
Net Charge0
Average Mass650.894
Monoisotopic Mass650.43938
SMILESCOC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O
InChIInChI=1S/C37H62O9/c1-21(2)34-26(7)31(43-12)20-37(44-13,46-34)28(9)33(39)27(8)35-29(41-10)16-14-15-22(3)17-24(5)32(38)25(6)18-23(4)19-30(42-11)36(40)45-35/h14-16,18-19,21,24-29,31-35,38-39H,17,20H2,1-13H3/t24-,25+,26-,27-,28-,29-,31+,32-,33+,34+,35+,37+/m0/s1
InChIKeyGBIVMOGRTDNWIQ-HGYXEPBRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20028134)
ChEBI Ontology
Outgoing Relation(s)
Bafilomycin H (CHEBI:205456) is a macrolide (CHEBI:25106)
IUPAC Name 
(7R,8S,9S,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dimethoxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one