LIPID MAPS

Structure Database (LMSD)

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Common Name

Quercetin 3-[2'''-(E)-caffeylsophoroside]-7-glucoside

Systematic Name

3,5,7,3',4'-Pentahydroxyflavone 3-[2"'-(E)-caffeylsophoroside]-7-glucoside

Synonyms

LM ID

LMPK12112160

Formula

C₄₃H₄₈O₂₅

Exact Mass

Calculate m/z

964.248476

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/

Ranunculus (#3445)

Magnoliopsida (#3398)

Quercetin glycosides from antarcticRanunculus species,
Phytochemistry, 1994

DOI: 10.1016/S0031-9422(00)89580-1

String Representations

InChiKey (Click to copy)

CBQWFAOISQNPIK-KJMRRCPRSA-N

InChi (Click to copy)

InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25-,26-,29-,30-,31-,33+,34+,35+,36-,39-,40-,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](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=C(OC)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1