LIPID MAPS

Structure Database (LMSD)

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Common Name

Cyanidin 3-rutinoside-3'-glucoside

Systematic Name

3,5,7,3',4'-Pentahydroxyflavylium 3-rutinoside-3'-glucoside

Synonyms

LM ID

LMPK12010129

Formula

C₃₃H₄₁O₂₀

Exact Mass

Calculate m/z

757.219126

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/

Bromeliaceae (#4613)

Magnoliopsida (#3398)

A cyanidin glycoside giving scarlet coloration in plants of the bromeliaceae,
Phytochemistry, 1983

DOI: 10.1016/S0031-9422(00)80261-7

String Representations

InChiKey (Click to copy)

SPUXGEXEKQUUMW-HWKLKBEVSA-O

InChi (Click to copy)

InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(37)5-12(35)6-16(13)49-30(18)11-2-3-14(36)17(4-11)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)C(O[C@H]3[C@H](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)=CC=2C(O)=C1