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CHEBI:219696 - Gaudimycin E

ChEBI IDCHEBI:219696
ChEBI NameGaudimycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47NO13
Net Charge0
Average Mass713.777
Monoisotopic Mass713.30474
SMILESC[C@@H]1O[C@H](c2ccc3c(c2O)C(=O)c2ccc(C[C@@](C)(CC(=O)O)O[C@H]4CC[C@H](N)[C@@H](C)O4)c(O)c2C3=O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C37H47NO13/c1-16-23(38)9-12-28(48-16)51-37(4,15-27(40)41)14-19-5-6-21-30(33(19)43)35(45)22-8-7-20(34(44)31(22)36(21)46)26-11-10-25(17(2)47-26)50-29-13-24(39)32(42)18(3)49-29/h5-8,16-18,23-26,28-29,32,39,42-44H,9-15,38H2,1-4H3,(H,40,41)/t16-,17+,18-,23+,24-,25+,26+,28+,29+,32-,37+/m1/s1
InChIKeyWMKVBRKZBMTQSW-UKINCDMNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies PGA64 (ncbitaxon:161235) - PubMed (25554073)
ChEBI Ontology
Outgoing Relation(s)
Gaudimycin E (CHEBI:219696) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3S)-3-[(2S,5S,6R)-5-amino-6-methyloxan-2-yl]oxy-4-[6-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-methylbutanoic acid
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