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Precorrin 3B

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1367605 Image of MNXM1367605 Image of MNXM1367605
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC43H43N4O17
charge-7
mass887.828
referenceseedM:cpd03833
InChIKeyJZOUCLWQLBVUFS-TWHJZXCLSA-G
InChIInChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h16,23-24,44,46,63H,4-15,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-7/t23-,24-,40+,41+,42+,43-/m1/s1
SMILESC[C@]1(O)C2=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC4=NC(=CC5=N[C@]16OC(=O)C[C@@]6(C)[C@@H]5CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]4CCC(=O)[O-])N3)N2
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd03833
seedM:cpd03833
Precorrin 3B
pre3b
precorrin-3B
seedM:M_cpd03833 secondary/obsolete/fantasy identifier