(Q105176923)

English

3-[[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Quercetin 3-(6''-malonyl-glucoside)

1 reference

based on heuristic

inferred from SMILES

mass

550.095870004 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

quercetin 3-O-β-D-(6''-O-malonyl)-glucoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-[[(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from InChI

6''-O-Malonylisoquercitrin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₂O₁₅

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

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isomeric 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@H](O)[C@H](O)[C@@H]1O

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found in taxon

Salicornia depressa

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stated in

Flavonoides de Salicornia europaea

Salicornia europaea

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stated in

Flavonoides de Salicornia europaea

Salicornia maritima

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stated in

Flavonoides de Salicornia europaea

Humulus lupulus

1 reference

stated in

Metabolite profiling of flavonols and in vitro antioxidant activity of young shoots of wild Humulus lupulus L. (hop).

Phaseolus vulgaris

1 reference

stated in

The polyphenolic profiles of common bean (Phaseolus vulgaris L.).

Morus alba

2 references

stated in

Characterization of the polyphenolic fraction of Morus alba leaves extracts by HPLC coupled to a hybrid IT-TOF MS system

stated in

Identification and quantification of phenolic acids and flavonol glycosides in Tunisian Morus species by HPLC-DAD and HPLC–MS

Capsicum annuum

1 reference

stated in

Integrative analysis of metabolome and transcriptome reveals the mechanism of color formation in pepper fruit (Capsicum annuum L.).

Identifiers

InChI

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

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InChIKey

NBQPHANHNTWDML-NWFUCLLXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105176923)

3-[[(2R,3S,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Statements

Identifiers

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