CHEBI:80039 - Spinosyn J

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ChEBI Name Spinosyn J ChEBI ID CHEBI:80039 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H63NO10 Net Charge 0 Average Mass 717.92890 Monoisotopic Mass 717.44520 InChI InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)37(44)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39-,40+/m1/s1 InChIKey IHGXGNJRCONUAC-WNTSOVQUSA-N SMILES CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC ChEBI Ontology Outgoing Spinosyn J (CHEBI:80039) is a macrolide (CHEBI:25106) Manual Xref Database C15707 KEGG COMPOUND View more database links