input word = C00007184

Metabolite InformationStructural formula
Name Isoliquiritoside
Isoliquiritin
Formula C21H22O9
Mw 418.1263823
CAS RN 5041-81-6
C_ID C00007184 ,
InChIKey YNWXJFQOCHMPCK-IFHLCVGENA-N
InChICode InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
SMILES c1(cc(c(cc1)C(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense Ref.
PlantaeFabaceaeGlycyrrhiza aspera Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza kansuensis Ref.
PlantaeFabaceaeGlycyrrhiza spp. Ref.
PlantaeFabaceaeGlycyrrhiza spp., Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeFabaceaeTrifolium subterraneum Ref.
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