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 O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2O)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium sternbergianum Ref.
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