input word = C00058218

Metabolite InformationStructural formula
Name Tricin 7-diglucuronoside
Formula C29H30O19
Mw 682.13812878
CAS RN 380468-51-9
C_ID C00058218
InChIKey RDNMWJOGZVGRGW-FLTOQTNJSA-N
InChICode InChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)/t18-,19-,20-,21-,22+,23-,24-,25+,28-,29+/m0/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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