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CHEBI:209142 - 24-Demethyl-bafilomycin C1

ChEBI IDCHEBI:209142
ChEBI Name24-Demethyl-bafilomycin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O12
Net Charge0
Average Mass706.870
Monoisotopic Mass706.39283
SMILESCC[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)C2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)O)[C@@H]1C
InChIInChI=1S/C38H58O12/c1-11-28-25(6)31(48-33(41)16-15-32(39)40)20-38(45,50-28)27(8)35(43)26(7)36-29(46-9)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-30(47-10)37(44)49-36/h12-16,18-19,23-29,31,34-36,42-43,45H,11,17,20H2,1-10H3,(H,39,40)/b14-12-,16-15+,21-13-,22-18-,30-19+/t23-,24+,25+,26-,27-,28+,29-,31+,34-,35+,36?,38+/m0/s1
InChIKeySSTUPTYVHMCPHP-CVUFMQPBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (12817815)
ChEBI Ontology
Outgoing Relation(s)
24-Demethyl-bafilomycin C1 (CHEBI:209142) is a macrolide (CHEBI:25106)
IUPAC Name 
(E)-4-[(2R,4R,5R,6R)-6-ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl]oxy-4-oxobut-2-enoic acid
Manual XrefsDatabases
78438465ChemSpider