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 c1c(ccc(c1OS(=O)(=O)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLeeaceaeLeea guineensis Ref.
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