Compound Details

 Compound-ID 6220
 Common Name Precorrin 2
 Synonyms Dihydrosirohydrochlorin
 InChI InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1
 SMILES CC2(CC(O)=O)(C1=Cc5nc(Cc4nc(C=C3N=C(C=C(N1)C2(CCC(O)=O))C(C)(CC(O)=O)C3(CCC(O)=O))c(CC(O)=O)c4(CCC(O)=O))c(CCC(O)=O)c5(CC(O)=O))
 External Links
 KEGG-COMPOUND-ID C02463
 PUBCHEM-ID 5480
 ChEBI-ID 50602
 BioModels 50602


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