input word = C00022636

Metabolite InformationStructural formula
Name 17-[2-Methylbutyryloxy]-grindelic acid
Formula C25H40O5
Mw 420.28757439
CAS RN 81916-51-0
C_ID C00022636 ,
InChIKey BXQDNZTUHVQBRI-FPBFWXMVNA-N
InChICode InChI=1S/C25H40O5/c1-7-17(2)21(28)29-16-18-9-10-19-22(3,4)11-8-12-24(19,6)25(18)14-13-23(5,30-25)15-20(26)27/h9,17,19H,7-8,10-16H2,1-6H3,(H,26,27)/t17-,19-,23-,24-,25+/m0/s1
SMILES CCC(C)C(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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