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 CC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum filiforme Ref.
PlantaePolygonaceaePolygonum flaccidum Ref.
PlantaeSapindaceaeKoelreuteria paniculata Ref.
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