LIPID MAPS

Structure Database (LMSD)

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Common Name

Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)

Systematic Name

3,5,7,4'-Tetrahydroxyflavylium 3- (6- (malonyl) glucoside) -7- (6- (4- (glucosyl) -p-hydroxybenzoyl) glucoside)

Synonyms

LM ID

LMPK12010086

Formula

C₄₃H₄₇O₂₅

Exact Mass

Calculate m/z

963.24065

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/

Delphinium (#46246)

Magnoliopsida (#3398)

Acylated pelargonidin 3,7-glycosides from red flowers of Delphinium hybridum,
Phytochemistry, 1998

DOI: 10.1016/S0031-9422(98)00219-2

String Representations

InChiKey (Click to copy)

BVWDUTYWOIINQI-FULPIZPKSA-O

InChi (Click to copy)

InChI=1S/C43H46O25/c44-13-25-30(50)33(53)36(56)41(66-25)62-19-7-3-17(4-8-19)40(59)61-15-27-32(52)34(54)37(57)42(67-27)63-20-9-22(46)21-11-24(39(64-23(21)10-20)16-1-5-18(45)6-2-16)65-43-38(58)35(55)31(51)26(68-43)14-60-29(49)12-28(47)48/h1-11,25-27,30-38,41-44,50-58H,12-15H2,(H2-,45,46,47,48)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,41-,42-,43-/m1/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1