input word = C00061546

Metabolite InformationStructural formula
Name 6-(3,4-Dimethoxyphenyl)-9-hydroxy-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C24H22O14
Mw 534.10095541
CAS RN 349607-87-0
C_ID C00061546
InChIKey MRRDNEKQNDQHAF-NKUGBYDDSA-N
InChICode InChI=1S/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)/t16-,17-,18+,22-,24+/m0/s1
SMILES COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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