input word = C00005438

Metabolite InformationStructural formula
Name Quercetin 7,4'-diglucoside
Formula C27H30O17
Mw 626.14829954
CAS RN 42900-82-3
C_ID C00005438 ,
InChIKey QZXHFNCQMMUANB-YSOSRWOWNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24+,26-,27-/m1/s1
SMILES O=c1c(O)c(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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