input word = C00014497

Metabolite InformationStructural formula
Name Isoliquiritigenin 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside
4,2',4'-Trihydroxychalcone 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside
Formula C36H38O16
Mw 726.21598517
CAS RN 202657-28-1
C_ID C00014497 ,
InChIKey BYQKEKUAWGGZTQ-IDBWFKNDNA-N
InChICode InChI=1S/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30+,31-,32-,33+,34+,35-,36-/m0/s1
SMILES COc1cc(/C=C/C(=O)OCC2(O)CO[C@@H](OC3[C@H](Oc4ccc(/C=C/C(=O)c5ccc(O)cc5O)cc4)OC(CO)[C@@H](O)[C@@H]3O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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