LIPID MAPS

Structure Database (LMSD)

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Common Name

Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside)

Systematic Name

7-[[6-O-(3,4-Dihydroxycinnamoyl)-β-D-glucopyranosyl]oxy]-3,3'-bis(β-D-glucopyranosyloxy)-4',5-dihydroxyanthocyanidin

Synonyms

LM ID

LMPK12010217

Formula

C₄₂H₄₇O₂₄

Exact Mass

Calculate m/z

935.245735

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/

Cattleya coccinea (#123205)

Magnoliopsida (#3398)

Acylated cyanidin glycosides in the orange-red flowers of Sophronitis coccinea,
Phytochemistry, 1998

DOI: 10.1016/S0031-9422(98)00182-4

String Representations

InChiKey (Click to copy)

YVKLONZWAFCIAE-ZGHDLNAXSA-O

InChi (Click to copy)

InChI=1S/C42H46O24/c43-12-26-30(50)33(53)37(57)41(64-26)62-24-8-16(3-5-20(24)46)39-25(63-42-38(58)34(54)31(51)27(13-44)65-42)11-18-21(47)9-17(10-23(18)61-39)60-40-36(56)35(55)32(52)28(66-40)14-59-29(49)6-2-15-1-4-19(45)22(48)7-15/h1-11,26-28,30-38,40-44,50-58H,12-14H2,(H3-,45,46,47,48,49)/p+1/t26-,27-,28-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/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)=C(O)C=3)=O)O2)=CC2[O+]=C(C3C=CC(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)O3)=CC=2C(O)=C1