LIPID MAPS

Structure Database (LMSD)

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Common Name

Quercetin 3-(6''''-ferulylsophorotrioside)

Systematic Name

Synonyms

LM ID

LMPK12112153

Formula

C₄₃H₄₈O₂₅

Exact Mass

Calculate m/z

964.248475

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/

String Representations

InChiKey (Click to copy)

AZGSHRDQKXNYSL-BTTGAAGASA-N

InChi (Click to copy)

InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)61-14-26-31(54)33(56)36(59)41(65-26)67-39-34(57)29(52)25(13-45)64-43(39)68-40-35(58)30(53)24(12-44)63-42(40)66-38-32(55)28-21(50)10-17(46)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)

C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C(C3C=C(O)C(O)=CC=3)OC3C=C(O)C=C(O)C=3C2=O)O1)(/C=C/C1C=CC(O)=C(OC)C=1)=O