LIPID MAPS

Structure Database (LMSD)

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Common Name

Quercetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3''-(E)-p-coumaroylgalactoside)]-7-rhamnoside

Systematic Name

Synonyms

LM ID

LMPK12112274

Formula

C₄₈H₅₆O₂₆

Exact Mass

Calculate m/z

1048.30599

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/

String Representations

InChiKey (Click to copy)

TUPGAGLJIIHDNH-SNCYHMEESA-N

InChi (Click to copy)

InChI=1S/C48H56O26/c1-16-30(54)35(59)38(62)45(66-16)65-15-27-33(57)42(72-28(53)11-6-19-4-8-21(49)9-5-19)44(74-47-40(64)37(61)32(56)18(3)68-47)48(71-27)73-43-34(58)29-25(52)13-22(69-46-39(63)36(60)31(55)17(2)67-46)14-26(29)70-41(43)20-7-10-23(50)24(51)12-20/h4-14,16-18,27,30-33,35-40,42,44-52,54-57,59-64H,15H2,1-3H3/b11-6+/t16-,17-,18-,27+,30-,31-,32-,33-,35+,36+,37+,38+,39+,40+,42-,44+,45+,46-,47-,48-/m0/s1

SMILES (Click to copy)

C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C)[C@@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1