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CHEBI:221428 - Aldgamycin E

ChEBI IDCHEBI:221428
ChEBI NameAldgamycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O15
Net Charge0
Average Mass742.856
Monoisotopic Mass742.37757
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OCC2C(C)OC(=O)/C=C/C(C)C(O[C@@H]3O[C@H](C)C[C@@]4(OC(=O)O[C@H]4C)[C@H]3O)C(C)CC(C)C(=O)CCC3OC32)[C@@H]1OC
InChIInChI=1S/C37H58O15/c1-17-10-13-27(39)47-21(5)24(16-45-34-32(44-9)31(43-8)28(40)22(6)48-34)30-26(50-30)12-11-25(38)18(2)14-19(3)29(17)51-35-33(41)37(15-20(4)46-35)23(7)49-36(42)52-37/h10,13,17-24,26,28-35,40-41H,11-12,14-16H2,1-9H3/b13-10+/t17?,18?,19?,20-,21?,22-,23+,24?,26?,28-,29?,30?,31-,32-,33+,34-,35+,37+/m1/s1
InChIKeyOQBVBRTUEKMEAX-LKOMEXITSA-N
ChEBI Ontology
Outgoing Relation(s)
Aldgamycin E (CHEBI:221428) is a macrolide (CHEBI:25106)
IUPAC Name 
(6E)-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[[(4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione