input word = C00006073

Metabolite InformationStructural formula
Name Tamarixetin 3-glucoside-7-sulfate
Quercetin 4'-methyl ether 3-glucoside-7-sulfate
3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one
Formula C22H22O15S
Mw 558.06794077
CAS RN 156606-91-6
C_ID C00006073 ,
InChIKey HDCDAUMQECHFOE-BMMDRJOYNA-N
InChICode InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-10(12)24)20-21(36-22-19(29)18(28)16(26)14(7-23)35-22)17(27)15-11(25)5-9(6-13(15)34-20)37-38(30,31)32/h2-6,14,16,18-19,22-26,28-29H,7H2,1H3,(H,30,31,32)/t14-,16-,18+,19-,22+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)OC)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum hydropiper Ref.
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