Compound Details

 Compound-ID 8538
 Common Name Precorrin 6X
 Synonyms Precorrin 6A
 InChI InChI=1S/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1
 SMILES CC12(CC=5N=C(C=C4NC(C)(C=3N=C(CC(=N1)C(CCC(O)=O)=C2(CC(O)=O))C(C)(CCC(O)=O)C=3(CC(O)=O))C(C)(CC(O)=O)C4(CCC(O)=O))C(C)(CC(O)=O)C=5(CCC(O)=O))
 External Links
 KEGG-COMPOUND-ID C06320
 PUBCHEM-ID 8556
 ChEBI-ID 27513


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