input word = C00001201

Metabolite InformationStructural formula
Name Quinic acid
Formula C7H12O6
Mw 192.06338812
CAS RN 77-95-2
C_ID C00001201 ,
InChIKey AAWZDTNXLSGCEK-KHHSBAEGNA-N
InChICode InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4+,5+,7+
SMILES [C@]1(C[C@H]([C@@H]([C@H](C1)O)O)O)(O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaePeltophorum pterocarpum Ref.
PlantaeFabaceaeVicia faba Ref.
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OrganismArabidopsis thaliana
ReferenceFiehn,Anal.Chem.,72,(2000),3573