input word = C00052795

Metabolite InformationStructural formula
Name Aconitate
Formula C6H3O6
Mw 170.99296283
CAS RN 5976-98-7
C_ID C00052795
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-K
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)/p-3/b3-1-
SMILES O=C([O-])/C=C(/CC(=O)[O-])C(=O)[O-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
--Paraburkholderia phymatum Ref.
zoom in