Compound Details

 Compound-ID 8619
 Common Name Precorrin 4
 InChI InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1
 SMILES CC(=O)C25(NC(=CC4=NC(Cc3nc(CC1=NC2(=C(CC(O)=O)C1(C)(CCC(O)=O)))c(CCC(O)=O)c3(CC(O)=O))=C(CCC(O)=O)C4(C)(CC(O)=O))C(CCC(O)=O)C5(C)(CC(O)=O))
 External Links
 KEGG-COMPOUND-ID C06407
 PUBCHEM-ID 8642
 ChEBI-ID 16430


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