input word = C00033964

Metabolite InformationStructural formula
Name Itaconic acid
Formula C5H6O4
Mw 130.02660868
CAS RN 97-65-4
C_ID C00033964 ,
InChIKey LVHBHZANLOWSRM-UHFFFAOYSA-N
InChICode InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
SMILES C(=C)(CC(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeSapotaceaeSebertia acuminata Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismVicia faba
ReferenceAldrich Library of FT-IR Spectra,1st edn.,1,(1985),504B