input word = C00034389

Metabolite InformationStructural formula
Name 3beta-Acetoxy-16beta-hydroxybetulinic acid
Formula C32H50O5
Mw 514.36582471
CAS RN 934021-45-1
C_ID C00034389 ,
InChIKey YFCJVNPEQIVRMM-FERBARTBNA-N
InChICode InChI=1S/C32H50O5/c1-18(2)20-11-16-32(27(35)36)24(34)17-31(8)21(26(20)32)9-10-23-29(6)14-13-25(37-19(3)33)28(4,5)22(29)12-15-30(23,31)7/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21+,22-,23+,24-,25-,26-,29-,30+,31+,32-/m0/s1
SMILES [C@@H]12[C@@]([C@H](C[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@@H](C3(C)C)OC(=O)C)C)C)C)O)(CC[C@H]2C(=C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeFagara tessmannii Engl. Ref.
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