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CHEBI:82041 - Spinetoram

Default Structure
ChEBI IDCHEBI:82041
ChEBI NameSpinetoram
Stars
DownloadsMolfile
FormulaC42H69NO10
Net Charge0
Average Mass748.011
Monoisotopic Mass747.49215
SMILES[H][C@]1(O[C@H]2CCC[C@H](CC)OC(=O)CC3C(=C[C@@]4([H])[C@]5([H])CC(O[C@]6([H])O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]6OC)C[C@@]5([H])CC[C@@]34[H])C(=O)[C@@H]2C)CC[C@H](N(C)C)[C@@H](C)O1
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/t23-,24-,25+,26-,27+,28?,29-,30-,31-,32?,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChIKeyGOENIMGKWNZVDA-OAMCMWGQSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinetoram (CHEBI:82041) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C18894KEGG COMPOUND
Registry NumbersSources
CAS:187166-40-1KEGG COMPOUND