input word = C00031029

Metabolite InformationStructural formula
Name Piepunensine A
Formula C22H33NO6
Mw 407.23078779
CAS RN 910300-67-3
C_ID C00031029 ,
InChIKey XGNLVYXRWSQUKE-UHFFFAOYNA-N
InChICode InChI=1S/C22H33NO6/c1-27-9-20-5-4-15(29-3)22-11-6-10-13(28-2)8-21(26,16(11)17(10)24)12(7-14(20)22)18(22)23-19(20)25/h10-18,24,26H,4-9H2,1-3H3,(H,23,25)/t10-,11-,12+,13+,14-,15+,16-,17-,18-,20+,21+,22-/m1/s1
SMILES [C@@H]12[C@H]3NC(=O)[C@]4([C@H]([C@]3([C@@H]3C[C@@H]5[C@H](C[C@]2([C@H]3[C@@H]5O)O)OC)[C@H](CC4)OC)C1)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum piepunense Ref.
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