input word = C00022629

Metabolite InformationStructural formula
Name 18-Oxogrindelic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 81916-43-0
C_ID C00022629 ,
InChIKey YOXRMCUWSYVPHU-NZNXCEQHNA-N
InChICode InChI=1S/C20H30O4/c1-14-6-7-15-17(2,13-21)8-5-9-19(15,4)20(14)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,17-,18-,19-,20+/m0/s1
SMILES CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)C=O)[C@@]12CC[C@@](C)(CC(=O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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