input word = C00022626

Metabolite InformationStructural formula
Name 3beta-Hydroxygrindelic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 81916-40-7
C_ID C00022626 ,
InChIKey NRFUGXICRLTIFH-IOGHZRAENA-N
InChICode InChI=1S/C20H32O4/c1-13-6-7-14-17(2,3)15(21)8-9-19(14,5)20(13)11-10-18(4,24-20)12-16(22)23/h6,14-15,21H,7-12H2,1-5H3,(H,22,23)/t14-,15-,18-,19-,20+/m0/s1
SMILES CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[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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