LIPID MAPS

Structure Database (LMSD)

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Common Name

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

Systematic Name

Synonyms

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

LM ID

LMPK12112390

Formula

C₄₉H₅₈O₂₆

Exact Mass

Calculate m/z

1062.32164

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)

HTWHBDQXGXOGDG-LRVWMXCDSA-N

InChi (Click to copy)

InChI=1S/C49H58O26/c1-17-31(54)36(59)39(62)46(67-17)66-16-28-34(57)43(73-29(53)12-7-20-5-9-22(50)10-6-20)45(75-48-41(64)38(61)33(56)19(3)69-48)49(72-28)74-44-35(58)30-25(52)14-23(70-47-40(63)37(60)32(55)18(2)68-47)15-27(30)71-42(44)21-8-11-24(51)26(13-21)65-4/h5-15,17-19,28,31-34,36-41,43,45-52,54-57,59-64H,16H2,1-4H3/b12-7+/t17-,18-,19-,28+,31-,32-,33-,34-,36+,37+,38+,39+,40+,41+,43-,45+,46+,47-,48-,49-/m0/s1

SMILES (Click to copy)

C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[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