EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201442 - Spinosyn L

ChEBI IDCHEBI:201442
ChEBI NameSpinosyn L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H65NO10
Net Charge0
Average Mass731.968
Monoisotopic Mass731.46085
SMILESCCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=C(C)C4CC(OC5OC(C)C(OC)C(O)C5OC)CC43)C2CC(=O)O1
InChIInChI=1S/C41H65NO10/c1-10-25-12-11-13-34(52-36-15-14-33(42(6)7)23(4)48-36)22(3)37(44)32-19-30-28(31(32)20-35(43)50-25)16-21(2)27-17-26(18-29(27)30)51-41-40(47-9)38(45)39(46-8)24(5)49-41/h16,19,22-31,33-34,36,38-41,45H,10-15,17-18,20H2,1-9H3
InChIKeyOGERNURWPFGCDC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinosyn L (CHEBI:201442) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-[(2R,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione