input word = C00006146

Metabolite InformationStructural formula
Name Puerarin 6''-acetate
Formula C23H22O10
Mw 458.12129692
CAS RN 124903-94-2
C_ID C00006146 ,
InChIKey WXJZLIXXIFBNNP-TYMQJJOKNA-N
InChICode InChI=1S/C23H22O10/c1-10(24)31-9-16-19(28)20(29)21(30)23(33-16)17-15(26)7-6-13-18(27)14(8-32-22(13)17)11-2-4-12(25)5-3-11/h2-8,16,19-21,23,25-26,28-30H,9H2,1H3/t16-,19-,20+,21-,23+/m1/s1
SMILES c1(ccc2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)occ(c2=O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria mirifica Ref.
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