input word = C00063052

Metabolite InformationStructural formula
Name 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C22H22O11
Mw 462.11621155
CAS RN 807342-47-8
C_ID C00063052
InChIKey PGRVACGEVVVHCL-RECXWPGBSA-N
InChICode InChI=1S/C22H22O11/c1-30-11-3-9(2-10(24)4-11)13-8-31-15-6-12(5-14(25)17(15)18(13)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES COc1cc(O)cc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCymbopogon citratus Ref.
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