input word = C00005722

Metabolite InformationStructural formula
Name 3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H20O13
Mw 480.09039073
CAS RN 161833-36-9
C_ID C00005722 ,
InChIKey CMTYUVVBICETNN-WZOGJGHDNA-N
InChICode InChI=1S/C21H20O13/c22-5-11-15(28)17(30)18(31)21(33-11)34-20-16(29)12-9(25)3-6(23)4-10(12)32-19(20)7-1-2-8(24)14(27)13(7)26/h1-4,11,15,17-18,21-28,30-31H,5H2/t11-,15-,17+,18-,21+/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(c1O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium sternbergianum Ref.
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