input word = C00005956

Metabolite InformationStructural formula
Name Quercetin 3-(6''-malonylglucoside)
Quercetin 3-O-malonylglucoside
Quercetin 3-O-(6''-O-malonyl)-beta-D-glucoside
Formula C24H22O15
Mw 550.09587004
CAS RN 96862-01-0
C_ID C00005956 ,
InChIKey NBQPHANHNTWDML-ARDHPIDCNA-N
InChICode InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeChenopodiaceaeSalicornia europaea Ref.
PlantaeEquisetaceaeEquisetum spp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaePteridaceaeAdiantum capillus-veneris Ref.
PlantaeRosaceaePyrus communis Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
--Apocynym venetum L. Ref.
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