input word = C00022355

Metabolite InformationStructural formula
Name Grindelic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 1438-57-9
C_ID C00022355 ,
InChIKey XLWWERNKTLITEF-GMXRBQHVNA-N
InChICode InChI=1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@]1(C(=CC2)C)O[C@](CC1)(C)CC(=O)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia camporum Ref.
PlantaeAsteraceaeGrindelia paludosa Ref.
PlantaeAsteraceaeGrindelia robusta Ref.
PlantaeAsteraceaeGrindelia stricta Ref.
PlantaeAsteraceaeIsocoma tenuisecta Ref.
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OrganismGrindelia paludosa
ReferenceBohlmann,Phytochem.,21,(1982),167