input word = C00022635

Metabolite InformationStructural formula
Name 17-Isovaleryloxygrindelic acid
Formula C25H40O5
Mw 420.28757439
CAS RN 81916-50-9
C_ID C00022635 ,
InChIKey ZEDXXHHRKVXEAL-HZRLYMRENA-N
InChICode InChI=1S/C25H40O5/c1-17(2)14-21(28)29-16-18-8-9-19-22(3,4)10-7-11-24(19,6)25(18)13-12-23(5,30-25)15-20(26)27/h8,17,19H,7,9-16H2,1-6H3,(H,26,27)/t19-,23-,24-,25+/m0/s1
SMILES CC(C)CC(=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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