input word = C00022292

Metabolite InformationStructural formula
Name 18-Acetoxy-6-oxogrindelic acid
Formula C20H30O5
Mw 350.20932407
CAS RN 261162-47-4
C_ID C00022292 ,
InChIKey YKJKZQHYTCDZKN-KHZPGXFWNA-N
InChICode InChI=1S/C20H30O5/c1-13-10-14(22)16-17(2,12-21)6-5-7-19(16,4)20(13)9-8-18(3,25-20)11-15(23)24/h10,16,21H,5-9,11-12H2,1-4H3,(H,23,24)/t16-,17-,18-,19-,20+/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@@]1(C(=CC2=O)C)O[C@](CC1)(C)CC(=O)O)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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