input word = C00046338

Metabolite InformationStructural formula
Name Putterine B
Formula C44H52N2O18
Mw 896.32151288
CAS RN 345303-00-6
C_ID C00046338 ,
InChIKey NVPUGSISJKHDNC-UHFFFAOYNA-N
InChICode InChI=1S/C44H52N2O18/c1-20(2)37(51)62-32-34-42(10,55)44-33(58-24(6)48)29(41(9,64-44)18-57-40(54)28-14-12-16-46-30(28)21(3)22(4)38(52)63-34)31(61-39(53)27-13-11-15-45-17-27)35(59-25(7)49)43(44,19-56-23(5)47)36(32)60-26(8)50/h11-17,20-22,29,31-36,55H,18-19H2,1-10H3/t21-,22-,29-,31+,32-,33-,34-,35-,36-,41-,42+,43-,44+/m0/s1
SMILES [C@@H]1([C@H]2[C@]([C@@]34[C@]([C@H]1OC(=O)C)([C@H]([C@@H]([C@@H]([C@@H]3OC(=O)C)[C@](O4)(C)COC(=O)c1c(nccc1)[C@H]([C@@H](C(=O)O2)C)C)OC(=O)c1cnccc1)OC(=O)C)COC(=O)C)(O)C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus putterlickoides Ref.
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OrganismMaytenus putterlickoides
ReferenceSchaneberg,J.Nat.Prod.,64,(2001),624