input word = C00046226

Metabolite InformationStructural formula
Name Oleanol acetate
Formula C31H50O2
Mw 454.38108084
CAS RN 879278-33-8
C_ID C00046226 ,
InChIKey JOKFZFAXFRHICA-YJOHBIQWNA-N
InChICode InChI=1S/C31H50O2/c1-20(32)33-26-14-16-29(6)24(28(26,4)5)13-18-31(8)25(29)10-9-23-22-19-27(2,3)15-11-21(22)12-17-30(23,31)7/h23-26H,9-19H2,1-8H3/t23-,24-,25-,26+,29+,30-,31-/m1/s1
SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(CCC(C)(C)C4)CC[C@]23C)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera cretica Ref.
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