input word = C00005799

Metabolite InformationStructural formula
Name 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
Formula C23H20O14
Mw 520.08530535
CAS RN
C_ID C00005799 ,
InChIKey CHIQYVBCRPLTQS-YXNHPHMWNA-N
InChICode InChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)/t15-,16-,17+,21-,23+/m0/s1
SMILES c12c(c(c3c(c1)oc(c(c3=O)OC)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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