input word = C00047146

Metabolite InformationStructural formula
Name 3-O-Acetyl-epi-betulinic acid
Formula C32H50O4
Mw 498.37091008
CAS RN 38736-81-1
C_ID C00047146 ,
InChIKey ACWNTJJUZAIOLW-JKXKAIRJNA-N
InChICode InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25+,26-,29-,30+,31+,32-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeBeilschmiedia erythrophloia Ref.
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