input word = C00022627

Metabolite InformationStructural formula
Name 4alpha-Hydroxy-18-norgrindelic acid
Formula C19H30O4
Mw 322.21440945
CAS RN 81916-41-8
C_ID C00022627 ,
InChIKey UNXOXLATZGHFCT-GTPPEVSQNA-N
InChICode InChI=1S/C19H30O4/c1-13-6-7-14-17(3,8-5-9-18(14,4)22)19(13)11-10-16(2,23-19)12-15(20)21/h6,14,22H,5,7-12H2,1-4H3,(H,20,21)/t14-,16+,17+,18-,19-/m1/s1
SMILES CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)O)[C@@]12CC[C@@](C)(CC(=O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia paludosa Ref.
PlantaeAsteraceaeGrindelia stricta Ref.
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OrganismGrindelia paludosa
ReferenceBohlmann,Phytochem.,21,(1982),167