input word = C00035494

Metabolite InformationStructural formula
Name 3-O-Acetylmaslinic acid
Formula C32H50O5
Mw 514.36582471
CAS RN 106894-29-5
C_ID C00035494 ,
InChIKey MWRSBBDTEPVXRB-GKNPUDDMNA-N
InChICode InChI=1S/C32H50O5/c1-19(33)37-25-22(34)18-29(6)23(28(25,4)5)11-12-31(8)24(29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9-10,20-25,34H,11-18H2,1-8H3,(H,35,36)/t20-,21+,22-,23-,24-,25+,29+,30-,31-,32+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](O)C[C@]2(C)[C@H]3C=CC4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNothofagaceae/FagaceaeNothofagus dombeyi Ref.
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