input word = C00061548

Metabolite InformationStructural formula
Name 2-(3,4-Dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid
Formula C24H24O14
Mw 536.11660548
CAS RN 349607-89-2
C_ID C00061548
InChIKey LURNGPWLQCDCBE-YPQORGHUSA-N
InChICode InChI=1S/C24H24O14/c1-33-9-5-4-8(6-10(9)34-2)20-21(37-24-19(30)17(28)18(29)22(38-24)23(31)32)16(27)13-11(36-20)7-12(35-3)14(25)15(13)26/h4-7,17-19,22,24-26,28-30H,1-3H3,(H,31,32)/t17-,18-,19+,22-,24+/m0/s1
SMILES COc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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