input word = C00013842

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->3)-galactoside
Formula C27H30O17
Mw 626.14829954
CAS RN
C_ID C00013842 ,
InChIKey RAMYMBNTEMMDSX-GLWSUTBUNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2/t14-,15-,17-,18+,20+,21-,22-,24+,26+,27+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFilipendula formosa Ref.
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