input word = C00050101

Metabolite InformationStructural formula
Name Galangin 3-O-beta-D-glucoside-8-sulfonate
(-)-Galangin 3-O-beta-D-glucoside-8-sulfonate
Formula C21H20O13S
Mw 512.06246146
CAS RN 214349-40-3
C_ID C00050101 ,
InChIKey IFHBLQSSJDMWJS-WCTLPINTNA-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 O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccccc2)oc2c(S(=O)(=O)O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus virgatus Ref.
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