(Q27114312)

Cyanidin-3-(6'-malonylglucoside) (English)

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

6 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₃O₁₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O

1 reference

Cyanidin-3-(6'-malonylglucoside) (English)

6 October 2016

isomeric SMILES

C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O

1 reference

Cyanidin-3-(6'-malonylglucoside) (English)

6 October 2016

found in taxon

Chrysanthemum morifolium

1 reference

Cyanidin 3-malonylglucuronylglucoside in Bellis and cyanidin 3-malonylglucoside in Dendranthema

Rubus

1 reference

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vaccinium corymbosum

1 reference

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vitis aestivalis

1 reference

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Vitis vinifera

1 reference

Flavonoid glycosides and antioxidant capacity of various blackberry, blueberry and red grape genotypes determined by high-performance liquid chromatography/mass spectrometry

Dendranthema morifolium

1 reference

Cyanidin 3-malonylglucuronylglucoside in Bellis and cyanidin 3-malonylglucoside in Dendranthema

Identifiers

InChI

InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1

1 reference

Cyanidin-3-(6'-malonylglucoside) (English)

6 October 2016

2 references

Cyanidin-3-(6'-malonylglucoside) (English)

6 October 2016

ChEBI release 2020-09-01

2 references

cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) (English)

6 October 2016

https://commonchemistry.cas.org/detail?cas_rn=171828-62-9

10 April 2021

1 reference

6"-Malonylchrysanthemin (English)

6 October 2016

2 references

Cyanidin-3-(6'-malonylglucoside) (English)

6 October 2016

Reaxys registry number

4914838

1 reference

cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) (English)

6 October 2016

ChEBI ID

31442

mapping relation type

2 references

cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/m1/s1

1 reference

splash10-000k-0090900000-23c0d1fcbc5620e6ea87

0 references

DSSTox substance ID

DTXSID80332139

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

2 references

inferred from InChIKey

1 reference

cyanidin 3-O-(6-O-malonyl-beta-D-glucoside) (English)