input word = C00041945

Metabolite InformationStructural formula
Name Tripfordine B
Formula C36H45NO17
Mw 763.26874902
CAS RN 911306-26-8
C_ID C00041945 ,
InChIKey VCRRHFSJEWAFJW-UHFFFAOYNA-N
InChICode InChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-25(49-18(3)39)29(51-20(5)41)35(15-47-17(2)38)30(52-21(6)42)26(50-19(4)40)28(53-31(16)44)34(8,46)36(35,54-33)27(24)43/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3/t16-,24+,25+,26-,27-,28-,29+,30-,33+,34+,35+,36-/m0/s1
SMILES [C@H]1([C@]23[C@]([C@H]4OC(=O)[C@H](CCc5c(C(=O)OC[C@@](O3)([C@@H]1[C@H]([C@H]([C@@]2([C@H]([C@H]4OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)cccn5)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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