input word = C00054102

Metabolite InformationStructural formula
Name Caffeoyltryptophan
N-Caffeoyltryptophan
Formula C20H18N2O5
Mw 366.1215717
CAS RN 109163-69-1
C_ID C00054102
InChIKey XITPERBRJNUFSB-BVBGJJFLSA-N
InChICode InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+/t16-/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCoffea canephora Ref.
--Caffea sp. Ref.
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