Compound Details

 Compound-ID 8388
 Common Name Aconitine
 InChI InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
 SMILES [H]C37(CC6(O)(C(OC)C(O)C(OC(C)=O)(C1C(OC)C4([H])(C2(COC)(CN(CC)C1C34(C(CC2(O))OC))))C7([H])(C6(OC(=O)c5ccccc5))))
 External Links
 KEGG-COMPOUND-ID C06091
 PUBCHEM-ID 8357
 ChEBI-ID 2430


View all entries for compound: Aconitine




© HITS gGmbH