input word = C00056554

Metabolite InformationStructural formula
Name 4-O-beta-D-Glucopyranosyl-p-coumaric acid
trans-p-Coumaric acid 4-O-beta-D-glucopyranoside
Formula C15H18O8
Mw 326.10016755
CAS RN 117405-49-9
C_ID C00056554
InChIKey LJFYQZQUAULRDF-FDGSXQGBSA-N
InChICode InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
SMILES O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica spp. Ref.
PlantaeGrossulariaceaeRibes rubrum Ref.
PlantaePinaceaePicea abies Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismBrassica spp.
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 180C

181A

2, 440D (ir)