input word = C00022642

Metabolite InformationStructural formula
Name Grindelistrictoic acid
Formula C18H28O5
Mw 324.193674
CAS RN 81916-08-7
C_ID C00022642 ,
InChIKey DCLCKUFBVFESAH-ZNHANTAUNA-N
InChICode InChI=1S/C18H28O5/c1-15(2)6-5-7-17(4)12(15)10-14(21)22-18(17)9-8-16(3,23-18)11-13(19)20/h12H,5-11H2,1-4H3,(H,19,20)/t12-,16-,17-,18-/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@@]1(OC(=O)C2)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