input word = C00005386

Metabolite InformationStructural formula
Name Quercetin 3'-glucoside
3,5,7,3',4'-Pentahydroxyflavone
Quercetin-3'-O-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 19254-30-9
C_ID C00005386 ,
InChIKey YLWQTYZKYGNKPI-HSKIRFKCNA-N
InChICode InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1cc(c(cc1)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
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMalvaceaeGossypium arboreum Ref.
PlantaeMalvaceaeGossypium herbaceum Ref.
PlantaeMalvaceaeGossypium hirsutum Ref.
PlantaePinaceaePseudotsuga menziesii Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeSaxifragaceaeSaxifraga tolmiei Ref.
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