LIPID MAPS

Structure Database (LMSD)

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Common Name

Bisdeacylplatyconin

Systematic Name

2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyloxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium

Synonyms

Delphinidin 3-rutinoside-7-glucoside

LM ID

LMPK12010289

Formula

C₃₃H₄₁O₂₁

Exact Mass

Calculate m/z

773.21404

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/

Campanula (#40568)

Magnoliopsida (#3398)

Structure and biosynthesis of anthocyanins in flowers of Campanula,
Phytochemistry, 1993

DOI: 10.1016/0031-9422(93)85424-P

String Representations

InChiKey (Click to copy)

RNPFWTUNILZAAJ-GNQVHQKOSA-O

InChi (Click to copy)

InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=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