input word = C00056823

Metabolite InformationStructural formula
Name Salicylic acid beta-D-glucoside
Salicylic acid O-glucoside
Formula C13H16O8
Mw 300.08451749
CAS RN 10366-91-3
C_ID C00056823
InChIKey TZPBMNKOLMSJPF-BZNQNGANSA-N
InChICode InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1
SMILES O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeSinapis alba Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismCapsicum annuum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 188B

188C

2, 273C

2, 295D

2, 296A

2, 383B

2, 444B (ir)