input word = C00046337

Metabolite InformationStructural formula
Name Putterine A
Formula C42H48N2O18
Mw 868.29021275
CAS RN 345302-99-0
C_ID C00046337 ,
InChIKey WYGMSWSZNDHDMQ-UHFFFAOYNA-N
InChICode InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20-,28-,30-,31+,32-,33-,34+,35+,39-,40-,41-,42+/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
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