input word = C00013718

Metabolite InformationStructural formula
Name Tricin 7-(2''-p-coumaroylglucuronosyl)(1->2)glucronide
Formula C38H36O21
Mw 828.17490822
CAS RN
C_ID C00013718 ,
InChIKey NBUOZEVVFWDVHF-UCSHVVGUNA-N
InChICode InChI=1S/C38H36O21/c1-52-22-9-15(10-23(53-2)26(22)43)20-13-19(41)25-18(40)11-17(12-21(25)55-20)54-37-34(30(47)28(45)31(57-37)35(48)49)59-38-33(29(46)27(44)32(58-38)36(50)51)56-24(42)8-5-14-3-6-16(39)7-4-14/h3-13,27-34,37-40,43-47H,1-2H3,(H,48,49)(H,50,51)/b8-5+/t27-,28-,29-,30-,31-,32+,33+,34+,37+,38-/m0/s1
SMILES c1c(cc(c(c1OC)O)OC)c1oc2c(c(=O)c1)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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