input word = C00005966

Metabolite InformationStructural formula
Name Quercetin 3-(2''-galloylrhamnoside)
Formula C28H24O15
Mw 600.1115201
CAS RN 80229-08-9
C_ID C00005966 ,
InChIKey KTTNFIOZYNBKEY-CHNYMZKXNA-N
InChICode InChI=1S/C28H24O15/c1-9-20(35)23(38)26(42-27(39)11-5-16(33)21(36)17(34)6-11)28(40-9)43-25-22(37)19-15(32)7-12(29)8-18(19)41-24(25)10-2-3-13(30)14(31)4-10/h2-9,20,23,26,28-36,38H,1H3/t9-,20-,23+,26-,28-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum filiforme Ref.
PlantaePolygonaceaePolygonum flaccidum Ref.
PlantaeSapindaceaeKoelreuteria paniculata Ref.
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