input word = C00022632

Metabolite InformationStructural formula
Name 18-[2-Methylbutyryloxy]-grindelic acid
Formula C25H40O5
Mw 420.28757439
CAS RN 81916-46-3
C_ID C00022632 ,
InChIKey DZNUEDKLEOFKGM-HQTDLTRGNA-N
InChICode InChI=1S/C25H40O5/c1-7-17(2)21(28)29-16-22(4)11-8-12-24(6)19(22)10-9-18(3)25(24)14-13-23(5,30-25)15-20(26)27/h9,17,19H,7-8,10-16H2,1-6H3,(H,26,27)/t17-,19-,22-,23-,24-,25+/m0/s1
SMILES CCC(C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@@](C)(CC(=O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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