input word = C00005846

Metabolite InformationStructural formula
Name Kaempferol 3-(2''-galloylglucoside)
Kaempferol 3-O-(2''-O-galloyl)-beta-D-glucoside
Formula C28H24O15
Mw 600.1115201
CAS RN 76343-90-3
C_ID C00005846 ,
InChIKey UWIQWJHBYRTKAL-ZKJKSYOBNA-N
InChICode InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2/t18-,21+,23-,26+,28-/m0/s1
SMILES O=C(O[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeEuphorbiaceaeEuphorbia humifusa Ref.
PlantaeEuphorbiaceaeEuphorbia maculata Ref.
PlantaePolygonaceaePolygonum lapathifolium Ref.
PlantaePolygonaceaePolygonum nodosum Ref.
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OrganismPolygonum nodosum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Isobe,Chem.Lett.,(1979),27

Kameda,J.Nat.Prod.,50,(1987),680