input word = C00013731

Metabolite InformationStructural formula
Name 3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid
Formula C21H20O13S
Mw 512.06246146
CAS RN 776278-57-0
C_ID C00013731 ,
InChIKey IFHBLQSSJDMWJS-WKIMLYJMNA-N
InChICode InChI=1S/C21H20O13S/c22-7-11-13(25)15(27)16(28)21(32-11)34-19-14(26)12-9(23)6-10(24)20(35(29,30)31)18(12)33-17(19)8-4-2-1-3-5-8/h1-6,11,13,15-16,21-25,27-28H,7H2,(H,29,30,31)/t11-,13-,15+,16+,21+/m1/s1
SMILES c1c(cccc1)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2S(=O)(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus virgatus Ref.
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