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CHEBI:201527 - Spinetoram J

ChEBI IDCHEBI:201527
ChEBI NameSpinetoram J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H69NO10
Net Charge0
Average Mass748.011
Monoisotopic Mass747.49215
SMILESCCOC1C(OC)C(C)OC(OC2CC3CCC4C5CC(=O)OC(CC)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C1OC
InChIInChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3
InChIKeyGOENIMGKWNZVDA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinetoram J (CHEBI:201527) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2R,5R,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione
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