input word = C00024812

Metabolite InformationStructural formula
Name 13-O-Acetylvakhmatine
Formula C22H29NO5
Mw 387.20457304
CAS RN 172045-40-8
C_ID C00024812 ,
InChIKey JFDDBMVESRQDLZ-MXLFTRFWNA-N
InChICode InChI=1S/C22H29NO5/c1-8-4-21-7-11-16-20(3)5-10(25)6-22(16)17(21)14(26)12(8)15(28-9(2)24)13(21)18(22)23(11)19(20)27/h10-19,25-27H,1,4-7H2,2-3H3/t10-,11-,12+,13+,14-,15+,16+,17+,18+,19-,20-,21-,22-/m0/s1
SMILES [C@@H]1([C@]2(C[C@@H](C[C@]34[C@@H]2[C@@H]2C[C@@]56[C@H]3[C@H]([C@@H](C(=C)C5)[C@H]([C@@H]6[C@H]4N12)OC(=O)C)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeConsolida amibigua Ref.
zoom in