input word = C00056294

Metabolite InformationStructural formula
Name Isosalicin
Formula C13H18O7
Mw 286.10525293
CAS RN 7724-09-6
C_ID C00056294
InChIKey VBSPBYNZPRRGSB-UJPOAAIJSA-N
InChICode InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
SMILES OC[C@H]1O[C@@H](OCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFilipendula ulmaria Ref.
PlantaeSalicaceaeSalix daphnoides Ref.
PlantaeSalicaceaeSalix purpurea Ref.
PlantaeSalicaceaeSalix spp. Ref.
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OrganismSalix spp.
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1128B

1128C

1, 1128D (ir)