CHEBI:82041 - Spinetoram

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ChEBI Name Spinetoram
ChEBI ID CHEBI:82041
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H69NO10
Net Charge 0
Average Mass 747.99800
Monoisotopic Mass 747.492
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/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChIKey GOENIMGKWNZVDA-OAMCMWGQSA-N
SMILES CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC2C[C@H]3CC[C@@H]4[C@@H](C=C5C4CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]4CC[C@@H]([C@@H](C)O4)N(C)C)[C@@H](C)C5=O)[C@@H]3C2)[C@@H]1OC
ChEBI Ontology
Outgoing Spinetoram (CHEBI:82041) is a organic molecular entity (CHEBI:50860)
Manual Xref Database
C18894 KEGG COMPOUND
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Registry Number Type Source
187166-40-1 CAS Registry Number KEGG COMPOUND