LIPID MAPS

Structure Database (LMSD)

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Common Name

Quercetin 3-(2G-apiosylrutinoside)

Systematic Name

2-(3,4-Dihydroxyphenyl)-3-[2-O-(D-apio-β-D-furanosyl)-6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Synonyms

LM ID

LMPK12112110

Formula

C₃₂H₃₈O₂₀

Exact Mass

Calculate m/z

742.195651

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/

Solanum glaucophyllum (#52877)

Magnoliopsida (#3398)

Phenolic glycosides from Solanum glaucophyllum: A new quercetin triglycoside containing D- apiose,
Phytochemistry, 1977

DOI: 10.1016/S0031-9422(00)86765-5

String Representations

InChiKey (Click to copy)

UPVDFUGORYNXMW-OEPZVFIMSA-N

InChi (Click to copy)

InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29+,30-,31-,32-/m0/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@@H]([C@](CO4)(O)CO)O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1