input word = C00061544

Metabolite InformationStructural formula
Name 9-Hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C23H20O14
Mw 520.08530535
CAS RN 349607-85-8
C_ID C00061544
InChIKey ZPQIJJKOFIOFNV-QJAHINBCSA-N
InChICode InChI=1S/C23H20O14/c1-32-9-3-2-7(4-8(9)24)18-20(36-23-17(29)15(27)16(28)21(37-23)22(30)31)14(26)12-10(35-18)5-11-19(13(12)25)34-6-33-11/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1
SMILES COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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