input word = C00013998

Metabolite InformationStructural formula
Name 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
4-(9-Hydroxy-7-methoxy-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl)phenyl beta-D-glucopyranosiduronic acid
Formula C23H20O13
Mw 504.09039073
CAS RN 374680-84-9
C_ID C00013998 ,
InChIKey QZRLCSNTKHSVAP-SNKKQVBVNA-N
InChICode InChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)/t15-,16-,17+,21-,23+/m0/s1
SMILES c1c(ccc(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1oc2c(c(=O)c1OC)c(c1c(c2)OCO1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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