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 CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(C)[C@]21CC[C@@](C)(CC(=O)O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia stricta Ref.
zoom in



OrganismGrindelia stricta
ReferenceBohlmann,Phytochem.,21,(1982),167