input word = C00046556

Metabolite InformationStructural formula
Name 12-epi-Teucjaponin A
Formula C22H28O7
Mw 404.18350325
CAS RN 124704-78-5
C_ID C00046556 ,
InChIKey LOZYVHYKXUKJDA-SOJDQNCHNA-N
InChICode InChI=1S/C22H28O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,24H,3-4,6,8-9,11-12H2,1-2H3/t13-,16-,17-,18-,20+,21-,22+/m1/s1
SMILES C1C[C@@]2([C@]3([C@H](C1)[C@]1([C@@H](C[C@H]3O)C)C[C@@H](OC1=O)c1cocc1)COC(=O)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium maghrebinum Ref.
zoom in