input word = C00005844

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-malonylglucoside)
6''-Malonylastragalin
Kaempferol 3-o-beta-D-(6''-o-malonyl)-glucoside
Formula C24H22O14
Mw 534.10095541
CAS RN 81149-02-2
C_ID C00005844 ,
InChIKey XEXCLTHHXIWUHO-ARDHPIDCNA-N
InChICode InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20-,21+,24+/m1/s1
SMILES O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeCeterach officinarum Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeEquisetaceaeEquisetum spp. Ref.
PlantaeFabaceaeCicer sp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeRosaceaePyrus communis Ref.
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OrganismCicer sp.
ReferenceSchoensiegel, I. et al., Z. Naturforsch., B, 1969, 24, 1213-1214 (benzoates)