input word = C00054001

Metabolite InformationStructural formula
Name N-trans-Caffeoyldopamine
Formula C17H17NO5
Mw 315.11067266
CAS RN 103188-49-4
C_ID C00054001
InChIKey FSMGGLPUXCKRGT-ZZXKWVIFSA-N
InChICode InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+
SMILES O=C(NCCC1=CC(O)=C(O)C=C1)/C=C/C2=CC(O)=C(O)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeSolanaceaeLycium chinense Ref.
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OrganismCapsicum annuum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1294A

1294B (ir)