input word = C00013897

Metabolite InformationStructural formula
Name Quercetin 3-rhamnoside-3'-sulfate
3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one
Formula C21H20O14S
Mw 528.05737608
CAS RN 618906-36-8
C_ID C00013897 ,
InChIKey AFTZRPOSTUJNEO-MGXPXYJDNA-N
InChICode InChI=1S/C21H20O14S/c1-7-15(25)17(27)18(28)21(32-7)34-20-16(26)14-11(24)5-9(22)6-13(14)33-19(20)8-2-3-10(23)12(4-8)35-36(29,30)31/h2-7,15,17-18,21-25,27-28H,1H3,(H,29,30,31)/t7-,15+,17-,18+,21+/m1/s1
SMILES CC1O[C@@H](Oc2c(-c3ccc(O)c(OS(=O)(=O)O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLeeaceaeLeea guineensis Ref.
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