input word = C00004460

Metabolite InformationStructural formula
Name Tricetin 3',4'-dimethyl ether 7-glucuronide
Formula C23H22O13
Mw 506.10604079
CAS RN 107668-76-8
C_ID C00004460 ,
InChIKey OVXXACUGBPARGL-ZWCGFDSSNA-N
InChICode InChI=1S/C23H22O13/c1-32-15-4-8(3-12(26)20(15)33-2)13-7-11(25)16-10(24)5-9(6-14(16)35-13)34-23-19(29)17(27)18(28)21(36-23)22(30)31/h3-7,17-19,21,23-24,26-29H,1-2H3,(H,30,31)/t17-,18-,19+,21+,23+/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)cc(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Rhizomnium magnifolium Ref.
--Rhizomnium pseudopunctatum Ref.
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