input word = C00005436

Metabolite InformationStructural formula
Name Quercetin 3,4'-di-O-beta-D-glucopyranoside
Quercetin 3,4'-di-O-beta-D-glucopyranoside
Quercetin 3,4'-diglucoside
Formula C27H30O17
Mw 626.14829954
CAS RN 29125-80-2
C_ID C00005436 ,
InChIKey RPVIQWDFJPYNJM-MAUJFVQSNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23-,26-,27+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAlliaceaeAllium tuberosum Ref.
PlantaeCruciferaeCrambe tataria Ref.
PlantaeCruciferaeSisymbrium gilliesii Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeIridaceaeCrocus antalyensis Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeVitaceaeVitis sp. Ref.
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