input word = C00054106

Metabolite InformationStructural formula
Name 5'-O-trans-p-Coumaroyladenosine
Formula C19H19N5O6
Mw 413.13353338
CAS RN 903574-32-3
C_ID C00054106
InChIKey SXGPUSACNPUSOU-PFQVGCJCSA-N
InChICode InChI=1S/C19H19N5O6/c20-17-14-18(22-8-21-17)24(9-23-14)19-16(28)15(27)12(30-19)7-29-13(26)6-3-10-1-4-11(25)5-2-10/h1-6,8-9,12,15-16,19,25,27-28H,7H2,(H2,20,21,22)/b6-3+/t12-,15-,16-,19-/m1/s1
SMILES NC1=C(N=CN2[C@]3([H])O[C@H](COC(/C=C/C4=CC=C(O)C=C4)=O)[C@@H](O)[C@H]3O)C2=NC=N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAmaranthus spinosus Ref.
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