input word = C00031625

Metabolite InformationStructural formula
Name beta-Carboline-1-propionic acid
Formula C14H12N2O2
Mw 240.08987764
CAS RN 89915-39-9
C_ID C00031625 ,
InChIKey CNUHEVWYPKFJHH-UHFFFAOYSA-N
InChICode InChI=1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
SMILES c1ccc2c(c1)[nH]c1c2ccnc1CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus malabarica Ref.
PlantaeSimaroubaceaeEurycoma longifolia Ref.
PlantaeSimaroubaceaeEurycoma longifolida Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
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OrganismAilanthus malabarica
ReferenceH. Aono et al., Chem. Abs., (1994), 122, 27716.