input word = C00013680

Metabolite InformationStructural formula
Name Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1->2)-glucuronide
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid
Formula C38H36O21
Mw 828.17490822
CAS RN 380468-53-1
C_ID C00013680 ,
InChIKey CQSOKHCNRZFEOH-DVVVRZDWNA-N
InChICode InChI=1S/C38H36O21/c1-52-22-9-14(3-6-17(22)39)4-8-25(43)56-33-29(46)27(44)32(36(50)51)58-38(33)59-34-30(47)28(45)31(35(48)49)57-37(34)54-16-11-19(41)26-20(42)13-21(55-24(26)12-16)15-5-7-18(40)23(10-15)53-2/h3-13,27-34,37-41,44-47H,1-2H3,(H,48,49)(H,50,51)/b8-4+/t27-,28-,29-,30-,31-,32+,33-,34-,37+,38-/m0/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@H](OC3[C@H](Oc4cc(O)c5c(=O)cc(-c6ccc(O)c(OC)c6)oc5c4)OC(C(=O)O)[C@@H](O)[C@@H]3O)OC(C(=O)O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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OrganismMedicago sativa
ReferenceStochmal,J.Agric.Food Chem.,49,(2001),5310