LIPID MAPS

Structure Database (LMSD)

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Common Name

Salvianin

Systematic Name

Pelargonidin 3-O-(6-O-caffeoyl-β-D-glucoside) 5-O-(4-O,6-O-dimalonyl-β-D-glucoside)

Synonyms

LM ID

LMPK12010449

Formula

C₄₂H₄₁O₂₄

Exact Mass

Calculate m/z

929.198785

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Salvia splendens (#180675)

Magnoliopsida (#3398)

Structure of anthocyanins in scarlet, purple, and blue flowers of Salvia,
Tetrahedron Letts, 1989

DOI: 10.1016/S0040-4039(00)70662-9

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)

PJBHNEIXNNZROX-QBMVVDGVSA-O

InChi (Click to copy)

InChI=1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@@H]3O[C@H](COC(=O)/C=C/C4C=C(O)C(O)=CC=4)[C@@H](O)[C@H](O)[C@H]3O)=CC=2C(O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](OC(CC(=O)O)=O)[C@H](O)[C@H]2O)=C1