input word = C00005399

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->6)-galactoside
Formula C27H30O17
Mw 626.14829954
CAS RN 90366-14-6
C_ID C00005399 ,
InChIKey FDRQPMVGJOQVTL-RROPWHCZNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAstrantia major Ref.
PlantaeApocynaceaeAsclepias curassavica Ref.
PlantaeFabaceaeAcacia raddiana Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
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