input word = C00025948

Metabolite InformationStructural formula
Name N,O,O-Trimethylstephavanine
Formula C29H33NO9
Mw 539.21553166
CAS RN 53111-19-6
C_ID C00025948 ,
InChIKey AJBWBBGCFSWKKH-JXFFCQAMNA-N
InChICode InChI=1S/C29H33NO9/c1-30-9-8-27-13-24(38-26(31)16-6-7-19(32-2)20(10-16)33-3)25(34-4)29(35-5)28(27,30)14-23(39-29)17-11-21-22(12-18(17)27)37-15-36-21/h6-7,10-12,23-25H,8-9,13-15H2,1-5H3/t23-,24-,25-,27-,28-,29-/m0/s1
SMILES COc1ccc(C(=O)O[C@H]2C[C@]34CCN(C)[C@@]35C[C@H](O[C@@]5(OC)C2OC)c2cc3c(cc24)OCO3)cc1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania abyssinica Walp. Ref.
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