input word = C00033133

Metabolite InformationStructural formula
Name Lupeol cinnamate
Formula C39H56O2
Mw 556.42803103
CAS RN 65883-50-3
C_ID C00033133 ,
InChIKey HHCSYPMWJQHCMZ-KAMXYGSMNA-N
InChICode InChI=1S/C39H56O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,28-32,34H,1,15-16,18-25H2,2-8H3/b17-14+/t28-,29+,30-,31+,32-,34-,36+,37-,38+,39+/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)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHimatanthus sucuuba Ref.
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OrganismHimatanthus sucuuba
ReferenceWood,Chem.Pharm.Bull.,49,(2001),1477