input word = C00022631

Metabolite InformationStructural formula
Name 18-Isovaleryloxygrindelic acid
Formula C25H40O5
Mw 420.28757439
CAS RN 81916-45-2
C_ID C00022631 ,
InChIKey JKSCZMHBMZAASY-LJOJZSONNA-N
InChICode InChI=1S/C25H40O5/c1-17(2)14-21(28)29-16-22(4)10-7-11-24(6)19(22)9-8-18(3)25(24)13-12-23(5,30-25)15-20(26)27/h8,17,19H,7,9-16H2,1-6H3,(H,26,27)/t19-,22-,23-,24-,25+/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@@]1(C(=CC2)C)O[C@](CC1)(C)CC(=O)O)C)(C)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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OrganismGrindelia stricta
ReferenceBohlmann,Phytochem.,21,(1982),167