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 O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
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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