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CHEBI:201519 - Doramectin monosaccharide

ChEBI IDCHEBI:201519
ChEBI NameDoramectin monosaccharide
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SubmitterMetaboLights
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FormulaC43H62O11
Net Charge0
Average Mass754.958
Monoisotopic Mass754.42921
SMILESCOC1CC(OC2C(C)=CCC3CC(CC4(C=CC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)C(O)C4OCC(=CC=CC2C)C34O)OC(C)C1O
InChIInChI=1S/C43H62O11/c1-24-11-10-14-30-23-49-40-36(44)27(4)19-33(43(30,40)47)41(46)51-32-20-31(16-15-25(2)38(24)52-35-21-34(48-6)37(45)28(5)50-35)53-42(22-32)18-17-26(3)39(54-42)29-12-8-7-9-13-29/h10-11,14-15,17-19,24,26,28-29,31-40,44-45,47H,7-9,12-13,16,20-23H2,1-6H3
InChIKeyHFDCQUOZPUMCSE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Doramectin monosaccharide (CHEBI:201519) is a macrolide (CHEBI:25106)
IUPAC Name 
(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one