input word = C00014019

Metabolite InformationStructural formula
Name 6-C-beta-D-Glucopyranosyl-5,7,2',4',5'-pentahydroxyflavone
6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H20O12
Mw 464.09547611
CAS RN 271601-13-9
C_ID C00014019 ,
InChIKey VGWBNVOKYXNHPW-XZIDVWOUNA-N
InChICode InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2/t14-,17+,19-,20+,21-/m0/s1
SMILES O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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OrganismHordeum vulgare
ReferenceNorbaek,J.Agric.Food Chem.,48,(2000),1703