LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Delphinidin 3-neohesperidoside-7-(6-malonylglucoside)

Synonyms

LM ID

LMPK12010320

Formula

C₃₆H₄₃O₂₄

Exact Mass

Calculate m/z

859.214436

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/

Felicia amelloides (#696374)

Magnoliopsida (#3398)

Novel pigments and copigmentation in the blue marguerite daisy,
Phytochemistry, 1999

DOI: 10.1016/S0031-9422(98)00707-9

String Representations

InChiKey (Click to copy)

WFTCKFPYAPNNAQ-KXGKYMRZSA-O

InChi (Click to copy)

InChI=1S/C36H42O24/c1-10-23(44)27(48)30(51)34(54-10)60-33-29(50)25(46)19(8-37)58-36(33)57-18-6-13-14(38)4-12(5-17(13)56-32(18)11-2-15(39)24(45)16(40)3-11)55-35-31(52)28(49)26(47)20(59-35)9-53-22(43)7-21(41)42/h2-6,10,19-20,23,25-31,33-37,44,46-52H,7-9H2,1H3,(H4-,38,39,40,41,42,45)/p+1/t10-,19+,20+,23-,25+,26+,27+,28-,29-,30+,31+,33+,34-,35+,36+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1