LIPID MAPS

Structure Database (LMSD)

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Common Name

Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside)

Systematic Name

3,5,7,3',4',5'-Hexahydroxyflavylium 3-glucoside-5-(6-(E)-p-coumaroylglucoside)

Synonyms

LM ID

LMPK12010345

Formula

C₃₆H₃₇O₁₉

Exact Mass

Calculate m/z

773.192911

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Antirrhinum majus (#4151)

Magnoliopsida (#3398)

Novel anthocyanins produced in petals of genetically transformed lisianthus,
Phytochemistry, 1996

DOI: 10.1016/0031-9422(96)00137-9

String Representations

InChiKey (Click to copy)

QBLJGCXJENARAY-QHVGLBQHSA-O

InChi (Click to copy)

InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1

SMILES (Click to copy)

C1(O)=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)O3)=CC=2C(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)=C1