input word = C00059085

Metabolite InformationStructural formula
Name 6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H20O13
Mw 480.09039073
CAS RN 1070863-82-9
C_ID C00059085
InChIKey KWNKSXGALDLIOD-GEKGKPEHSA-N
InChICode InChI=1S/C21H20O13/c22-4-10-14(27)17(30)19(32)21(34-10)11-6(23)3-9-12(15(11)28)16(29)18(31)20(33-9)5-1-7(24)13(26)8(25)2-5/h1-3,10,14,17,19,21-28,30-32H,4H2/t10-,14-,17+,19-,21+/m1/s1
SMILES O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCymbopogon citratus Ref.
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