Compound Details

 Compound-ID 8620
 Common Name Precorrin 8X
 Synonyms Precorrin 8
 InChI InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
 SMILES CC1C5=NC(C)(CC4=NC(=C(C)C3=NC(C)(C2N=C1C(C)(CCC(O)=O)C2(CC(O)=O))C(C)(CC(O)=O)C3(CCC(O)=O))C(C)(CC(O)=O)C4(CCC(O)=O))C(C)=C5(CCC(O)=O)
 External Links
 KEGG-COMPOUND-ID C06408
 PUBCHEM-ID 8643
 ChEBI-ID 28629
 METANETX-ID MNXM819829


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