LIPID MAPS

Structure Database (LMSD)

Common Name

Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside

Systematic Name

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

Synonyms

LM ID

LMPK12010340

Formula

C₄₈H₅₇O₂₈

Exact Mass

Calculate m/z

1081.303646

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/

Ceanothus papillosus (#73702)

Magnoliopsida (#3398)

Blue flower colour derived from flavonol-anthocyanin co-pigmentation in Ceanothus papillosus,
Phytochemistry, 1997

DOI: 10.1016/S0031-9422(97)00129-5

String Representations

InChiKey (Click to copy)

KFBCGNAHMMZNFV-FZRYDCDDSA-O

InChi (Click to copy)

InChI=1S/C48H56O28/c1-16-31(54)36(59)40(63)45(69-16)68-15-29-35(58)39(62)43(66)48(76-29)73-26-12-21-22(51)10-20(70-46-41(64)38(61)34(57)28(75-46)14-67-30(53)7-4-17-2-5-19(50)6-3-17)11-24(21)71-44(26)18-8-23(52)32(55)25(9-18)72-47-42(65)37(60)33(56)27(13-49)74-47/h2-12,16,27-29,31,33-43,45-49,54,56-66H,13-15H2,1H3,(H3-,50,51,52,53,55)/p+1/t16-,27+,28+,29+,31-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,45+,46+,47+,48+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)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