input word = C00022637

Metabolite InformationStructural formula
Name 17-Isobutyloxygrindelic acid
Formula C24H38O5
Mw 406.27192432
CAS RN 81916-52-1
C_ID C00022637 ,
InChIKey FSZPCPVUWXSHEO-ODRXGOCNNA-N
InChICode InChI=1S/C24H38O5/c1-16(2)20(27)28-15-17-8-9-18-21(3,4)10-7-11-23(18,6)24(17)13-12-22(5,29-24)14-19(25)26/h8,16,18H,7,9-15H2,1-6H3,(H,25,26)/t18-,22-,23-,24+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@]1(C(=CC2)COC(=O)C(C)C)O[C@](CC1)(C)CC(=O)O)C)(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