input word = C00005397

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->2)-galactoside
Formula C27H30O17
Mw 626.14829954
CAS RN 95043-15-5
C_ID C00005397 ,
InChIKey RDUAJIJVNHKTQC-NIYHURHTNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18+,20+,21+,22-,25+,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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeThevetia peruviana Ref.
PlantaeBetulaceaeCorylus avellana Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
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