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 O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c1c(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)cc(O)c2C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSorghum vulgare Ref.
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