CHEBI:201527 - Spinetoram J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spinetoram J
ChEBI ID CHEBI:201527
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H69NO10
Net Charge 0
Average Mass 748.011
Monoisotopic Mass 747.49215
InChI InChI=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
InChIKey GOENIMGKWNZVDA-UHFFFAOYSA-N
SMILES O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OCC)C)CCC3C2CC(=O)OC(CC)CCCC(C1C)OC6OC(C(N(C)C)CC6)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
34451834 ChemSpider
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