LIPID MAPS

Structure Database (LMSD)

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Common Name

Peonidin 3-(6'-malonylglucoside)-5-glucoside

Systematic Name

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

Synonyms

LM ID

LMPK12010249

Formula

C₃₁H₃₅O₁₉

Exact Mass

Calculate m/z

711.177261

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Lamiaceae (#4136)

Magnoliopsida (#3398)

Correlations between anthocyanin type, pollinator and flower colour in the labiatae,
Phytochemistry, 1992

DOI: 10.1016/0031-9422(92)83437-4

String Representations

InChiKey (Click to copy)

AEMHVTCADJQUIP-UPJXQTEWSA-O

InChi (Click to copy)

InChI=1S/C31H34O19/c1-44-17-4-11(2-3-14(17)34)29-18(48-31-28(43)26(41)24(39)20(50-31)10-45-22(37)8-21(35)36)7-13-15(46-29)5-12(33)6-16(13)47-30-27(42)25(40)23(38)19(9-32)49-30/h2-7,19-20,23-28,30-32,38-43H,8-10H2,1H3,(H2-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1