LIPID MAPS

Structure Database (LMSD)

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Common Name

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

Systematic Name

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

Synonyms

LM ID

LMPK12010085

Formula

C₄₀H₄₅O₂₂

Exact Mass

Calculate m/z

877.240255

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

Biological Context

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)

LQFOAAUHSVQTNW-WCEUWYDISA-O

InChi (Click to copy)

InChI=1S/C40H44O22/c41-12-24-27(45)30(48)33(51)38(60-24)56-18-7-3-16(4-8-18)37(54)55-14-26-29(47)32(50)34(52)39(62-26)57-19-9-21(44)20-11-23(59-40-35(53)31(49)28(46)25(13-42)61-40)36(58-22(20)10-19)15-1-5-17(43)6-2-15/h1-11,24-35,38-42,45-53H,12-14H2,(H-,43,44)/p+1/t24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,38-,39-,40-/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](CO)O3)=CC=2C(O)=C1