LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Cyanidin 3-robinobioside-5-(6-p-coumarylglucoside)

Synonyms

LM ID

LMPK12010106

Formula

C₄₂H₄₇O₂₂

Exact Mass

Calculate m/z

903.255905

Status

Active

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/

Eustoma grandiflorum (#52518)

Magnoliopsida (#3398)

Lisianthus flavonoid pigments and factors influencing their expression in flower colour.,
Phytochemistry, 1993

Pubmed ID: 7764146

String Representations

InChiKey (Click to copy)

JWDVHMNSSIJCIB-QXPAGZHZSA-O

InChi (Click to copy)

InChI=1S/C42H46O22/c1-16-30(48)33(51)36(54)40(59-16)58-15-28-32(50)35(53)38(56)42(64-28)62-26-13-21-24(60-39(26)18-5-8-22(45)23(46)10-18)11-20(44)12-25(21)61-41-37(55)34(52)31(49)27(63-41)14-57-29(47)9-4-17-2-6-19(43)7-3-17/h2-13,16,27-28,30-38,40-42,48-56H,14-15H2,1H3,(H3-,43,44,45,46,47)/p+1/t16-,27+,28+,30-,31+,32-,33+,34-,35-,36+,37+,38+,40+,41+,42+/m0/s1

SMILES (Click to copy)

C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=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[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