input word = C00054080

Metabolite InformationStructural formula
Name 3,4-Dihydroxybenzoyl beta-D-xylopyranoside
Formula C12H14O8
Mw 286.06886743
CAS RN 143986-30-5
C_ID C00054080
InChIKey VWQASRWQZBVNEI-KLBPJQLPSA-N
InChICode InChI=1S/C12H14O8/c13-6-2-1-5(3-7(6)14)11(18)20-12-10(17)9(16)8(15)4-19-12/h1-3,8-10,12-17H,4H2/t8-,9+,10-,12+/m1/s1
SMILES OC1=C(O)C=CC(C(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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OrganismGlycyrrhiza uralensis
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 212B

215D

2, 216A

216B

299B

300B

457A (ir)