input word = C00061545

Metabolite InformationStructural formula
Name 6-(2,3-Dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C23H20O15
Mw 536.08021997
CAS RN 349607-86-9
C_ID C00061545
InChIKey DDUOYJGQMDFRBY-QJAHINBCSA-N
InChICode InChI=1S/C23H20O15/c1-33-7-3-2-6(11(24)12(7)25)18-20(37-23-17(30)15(28)16(29)21(38-23)22(31)32)14(27)10-8(36-18)4-9-19(13(10)26)35-5-34-9/h2-4,15-17,21,23-26,28-30H,5H2,1H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1
SMILES COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)c(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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OrganismSpinacia oleracea
Referencehttps://doi.org/10.1021/jf0013712