input word = C00050716

Metabolite InformationStructural formula
Name 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Formula C12H13NO5
Mw 251.07937253
CAS RN 108540-96-1
C_ID C00050716
InChIKey ODKWPYFJFHIUTC-UHFFFAOYSA-N
InChICode InChI=1S/C12H13NO5/c1-18-12(17)8-4-2-3-5-9(8)13-10(14)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,13,14)(H,15,16)
SMILES COC(=O)c1ccccc1NC(=O)CCOC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum leave Ref.
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