input word = C00051346

Metabolite InformationStructural formula
Name Lupeol palmitate
Sambuculin A
Formula C46H80O2
Mw 664.6158318
CAS RN 32214-80-5
C_ID C00051346
InChIKey BWXDHBQGBNPJMN-OVUJEFHHNA-N
InChICode InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(34(2)3)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3/t35-,36+,37-,38+,39-,41+,43+,44-,45+,46+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora indica Ref.
zoom in