input word = C00056727

Metabolite InformationStructural formula
Name N-trans-Isoferuloyl-3-O-methyldopamine
Formula C19H21NO5
Mw 343.14197279
CAS RN 125002-88-2
C_ID C00056727
InChIKey QGYGWYUQPCKNKZ-VMPITWQZSA-N
InChICode InChI=1S/C19H21NO5/c1-24-17-7-4-13(11-16(17)22)5-8-19(23)20-10-9-14-3-6-15(21)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
SMILES COc1ccc(/C=C/C(=O)NCCc2ccc(O)c(OC)c2)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium album Ref.
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OrganismChenopodium album
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1294C (ir)