Compound Details

 Compound-ID 14017
 Common Name Avermectin B1b
 InChI InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
 SMILES [H]C57(OCC6=CC=CC(C)C(OC2CC(OC)C(OC1CC(OC)C(O)C(C)O1)C(C)O2)C(C)=CCC4CC(CC3(C=CC(C)C(O3)C(C)C)(O4))OC(=O)C(C=C(C)C5(O))C67(O))
 External Links
 KEGG-COMPOUND-ID C11967
 PUBCHEM-ID 14128
 ChEBI-ID 29537


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