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 c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFilipendula formosa Ref.
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OrganismFilipendula formosa
ReferenceWhang,Yukhak Hoechi,43,(1999),5