input word = C00009196

Metabolite InformationStructural formula
Name 5-O-beta-D-Glucopyranosyl luteoliflavan-(4->8)-eriodictyol-5-O-beta-D-glucopyranoside
Formula C42H44O21
Mw 884.23750847
CAS RN 103658-56-6
C_ID C00009196 ,
InChIKey XUDCUGTUOLYOQH-NZLPNJJCNA-N
InChICode InChI=1S/C42H44O21/c43-12-29-34(52)36(54)38(56)41(62-29)60-27-8-16(45)7-26-32(27)17(9-24(58-26)14-1-3-18(46)20(48)5-14)31-22(50)11-28(61-42-39(57)37(55)35(53)30(13-44)63-42)33-23(51)10-25(59-40(31)33)15-2-4-19(47)21(49)6-15/h1-8,11,17,24-25,29-30,34-39,41-50,52-57H,9-10,12-13H2/t17-,24-,25-,29+,30+,34+,35+,36-,37-,38+,39+,41+,42+/m0/s1
SMILES c12c(C(=O)C[C@H](O1)c1ccc(c(c1)O)O)c(cc(c2[C@H]1c2c(O[C@@H](C1)c1ccc(c(c1)O)O)cc(cc2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSorghum vulgare Ref.
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