LIPID MAPS

Structure Database (LMSD)

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Common Name

Cyanidin 3-(3-glucosyl-6-malonylglucoside)-4'-glucoside

Systematic Name

2-[3-Hydroxy-4-(β-D-glucopyranosyloxy)phenyl]-3-[3-O-β-D-glucopyranosyl-6-O-(3-hydroxy-1,3-dioxopropyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-1-benzopyrylium

Synonyms

LM ID

LMPK12010222

Formula

C₃₆H₄₃O₂₄

Exact Mass

Calculate m/z

859.214436

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Allium cepa (#4679)

Magnoliopsida (#3398)

Anthocyanins with 4′-glucosidation from red onion, Allium cepa,
Phytochemistry, 2003

DOI: 10.1016/j.phytochem.2003.08.019

String Representations

InChiKey (Click to copy)

XXFRPBJBDCHDPB-JALHFSQLSA-O

InChi (Click to copy)

InChI=1S/C36H42O24/c37-8-19-24(45)27(48)29(50)34(57-19)55-16-2-1-11(3-15(16)41)32-18(6-13-14(40)4-12(39)5-17(13)54-32)56-36-31(52)33(26(47)21(59-36)10-53-23(44)7-22(42)43)60-35-30(51)28(49)25(46)20(9-38)58-35/h1-6,19-21,24-31,33-38,45-52H,7-10H2,(H3-,39,40,41,42,43)/p+1/t19-,20-,21-,24-,25-,26-,27+,28+,29-,30-,31-,33+,34-,35+,36-/m1/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1