input word = C00013621

Metabolite InformationStructural formula
Name Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide
4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-Glucopyranosiduronic acid
Formula C37H34O20
Mw 798.16434353
CAS RN 365971-55-7
C_ID C00013621 ,
InChIKey LNCLTICCQWMCNS-RMHZHEIENA-N
InChICode InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)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/c1cc(c(cc1)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago sativa Ref.
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