input word = C00013716

Metabolite InformationStructural formula
Name Setaricin
7-(alpha-L-Arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
Formula C22H22O11
Mw 462.11621155
CAS RN 126394-59-0
C_ID C00013716 ,
InChIKey MJMGQZTXKNKYCG-BLEMFDDMNA-N
InChICode InChI=1S/C22H22O11/c1-29-16-3-9(4-17(30-2)20(16)27)14-7-12(24)18-11(23)5-10(6-15(18)33-14)32-22-21(28)19(26)13(25)8-31-22/h3-7,13,19,21-23,25-28H,8H2,1-2H3/t13-,19+,21+,22-/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC[C@H](O)[C@H](O)C4O)cc3o2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSetaria italica Ref.
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OrganismSetaria italica
ReferenceJain,Chem.Ind.,(1989),422