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CHEBI:200342 - Maduramycin

ChEBI IDCHEBI:200342
ChEBI NameMaduramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O16
Net Charge0
Average Mass887.114
Monoisotopic Mass886.52899
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@H]4CC[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C
InChIInChI=1S/C46H78O16/c1-23-19-24(2)44(9,50)59-36(23)31-20-32(56-35-14-13-30(52-10)28(6)55-35)41(57-31)43(8)16-15-33(58-43)42(7)17-18-45(62-42)21-29(47)25(3)37(60-45)26(4)38-40(54-12)39(53-11)27(5)46(51,61-38)22-34(48)49/h23-33,35-41,47,50-51H,13-22H2,1-12H3,(H,48,49)/t23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45+,46+/m0/s1
InChIKeyWXGIIUXDDORBHJ-IIHJWRHBSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - DOI (10.1002/jobm.3630180602)
ChEBI Ontology
Outgoing Relation(s)
Maduramycin (CHEBI:200342) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
Manual XrefsDatabases
78436607ChemSpider