input word = C00027888

Metabolite InformationStructural formula
Name Aquifoliunine E-II
Formula C34H43NO16
Mw 721.25818434
CAS RN 210166-84-0
C_ID C00027888 ,
InChIKey SHDBRMQJPSDFRT-UHFFFAOYNA-N
InChICode InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3/t14-,15-,21-,23-,24+,25-,26-,27-,28-,31-,32-,33-,34+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(O)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus aquifolium Ref.
zoom in