input word = C00026179

Metabolite InformationStructural formula
Name Acetylgynuramine
Gynuramine 19-O-acetate
Formula C20H27NO7
Mw 393.17875222
CAS RN 85547-34-8
C_ID C00026179 ,
InChIKey JAWLPMQZKYJXPI-YIXHJXPBNA-N
InChICode InChI=1S/C20H27NO7/c1-4-13-9-15(11-26-12(2)22)20(3,25)19(24)27-10-14-5-7-21-8-6-16(17(14)21)28-18(13)23/h4-5,15-17,25H,6-11H2,1-3H3/b13-4+/t15-,16+,17-,20-/m0/s1
SMILES C1C[C@@H]2[C@H]3N1CC=C3COC(=O)[C@]([C@@H](C/C(=C\C)/C(=O)O2)COC(=O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGynura scandens Ref.
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