input word = C00022277

Metabolite InformationStructural formula
Name 6beta-Hydroxygrindelic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 80952-79-0
C_ID C00022277 ,
InChIKey OCBYZNFGCPOXBL-UYUKBEKWNA-N
InChICode InChI=1S/C20H32O4/c1-13-11-14(21)16-17(2,3)7-6-8-19(16,5)20(13)10-9-18(4,24-20)12-15(22)23/h11,14,16,21H,6-10,12H2,1-5H3,(H,22,23)/t14-,16-,18-,19-,20+/m0/s1
SMILES CC1=C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia humilis Ref.
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