LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-β-glucoside)

Synonyms

LM ID

LMPK12010308

Formula

C₅₇H₆₃O₃₁

Exact Mass

Calculate m/z

1243.33534

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/

String Representations

InChiKey (Click to copy)

RRFVMPFCZKNXKT-LHKMMSPXSA-O

InChi (Click to copy)

InChI=1S/C57H62O31/c58-18-34-41(66)45(70)49(74)54(85-34)80-27-15-29(62)28-17-33(84-57-50(75)46(71)42(67)35(19-59)86-57)53(81-30(28)16-27)24-13-31(82-55-51(76)47(72)43(68)36(87-55)20-78-38(63)11-5-22-1-7-25(60)8-2-22)40(65)32(14-24)83-56-52(77)48(73)44(69)37(88-56)21-79-39(64)12-6-23-3-9-26(61)10-4-23/h1-17,34-37,41-52,54-59,66-77H,18-21H2,(H3-,60,61,62,63,64,65)/p+1/t34-,35-,36-,37-,41-,42-,43-,44-,45+,46+,47+,48+,49-,50-,51-,52-,54-,55-,56-,57-/m1/s1

SMILES (Click to copy)

C1(O)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O)=CC=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=12