input word = C00050426

Metabolite InformationStructural formula
Name Aconitic acid
Citridic acid
Formula C6H6O6
Mw 174.01643793
CAS RN 499-12-7
C_ID C00050426
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
InChICode InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES O=C(O)/C=C(/CC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeZingiberaceaeCurcuma domestica Ref.
--FOOD SAKE Ref.
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