input word = C00022639

Metabolite InformationStructural formula
Name 18-Acetoxy-6-oxogrindelic acid
Formula C22H32O6
Mw 392.21988875
CAS RN 81916-54-3
C_ID C00022639 ,
InChIKey UYOVOOPXFQQWGM-PFKXUYCMNA-N
InChICode InChI=1S/C22H32O6/c1-14-11-16(24)18-19(3,13-27-15(2)23)7-6-8-21(18,5)22(14)10-9-20(4,28-22)12-17(25)26/h11,18H,6-10,12-13H2,1-5H3,(H,25,26)/t18-,19-,20-,21-,22+/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@@]1(C(=CC2=O)C)O[C@](CC1)(C)CC(=O)O)C)(C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
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