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CHEBI:221798 - 28-epimutalomycin

ChEBI IDCHEBI:221798
ChEBI Name28-epimutalomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O12
Net Charge0
Average Mass754.999
Monoisotopic Mass754.48673
SMILESCO[C@@H]1[C@H](C)[C@@H]([C@H](C)[C@@H]2O[C@]3(CC[C@](C)([C@H]4CC[C@@](C)([C@H]5O[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@@H](O)[C@H]2C)O[C@@](O)([C@@H](C)C(=O)O)[C@H]1C
InChIInChI=1S/C41H70O12/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44)/t20-,21-,22+,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38-,39-,40-,41+/m0/s1
InChIKeyWWEDNBWYGGJQOV-LFLJMYQTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces mutabilis (ncbitaxon:67332) - PubMed (2737949)
ChEBI Ontology
Outgoing Relation(s)
28-epimutalomycin (CHEBI:221798) is a ketal (CHEBI:59777)
IUPAC Name 
(2R)-2-[(2R,3S,4R,5S,6S)-2-hydroxy-6-[(1S)-1-[(2R,5S,7R,8R,9R)-7-hydroxy-2-[(2R,5S)-5-[(2S,3S,5S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
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