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CHEBI:221804 - 2-epimutalomycin

ChEBI IDCHEBI:221804
ChEBI Name2-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-VDZUBBFJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces mutabilis (ncbitaxon:67332) - PubMed (2737949)
ChEBI Ontology
Outgoing Relation(s)
2-epimutalomycin (CHEBI:221804) is a ketal (CHEBI:59777)
IUPAC Name 
(2S)-2-[(2R,3R,4R,5S,6S)-2-hydroxy-6-[(1R)-1-[(2R,5S,7R,8S,9R)-7-hydroxy-2-[(2S,5R)-5-[(2R,3R,5S)-5-[(2R,3S,5S,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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