input word = C00057319

Metabolite InformationStructural formula
Name N-Phenylacetylaspartic acid
Formula C12H13NO5
Mw 251.07937253
CAS RN 2752-32-1
C_ID C00057319
InChIKey SVFKZPQPMMZHLZ-VIFPVBQESA-N
InChICode InChI=1S/C12H13NO5/c14-10(6-8-4-2-1-3-5-8)13-9(12(17)18)7-11(15)16/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t9-/m0/s1
SMILES O=C(O)C[C@H](NC(=O)Cc1ccccc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
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OrganismPisum sativum
ReferenceAldrich Library of NMR Spectra, 2nd edn.,1983, 1, 496C

496D

1, 497A (nmr)