LIPID MAPS

Structure Database (LMSD)

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Common Name

Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside

Systematic Name

2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[[6-O-[ 4-O-(carboxyacetyl)-α-L-rhamnopyranosyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium

Synonyms

LM ID

LMPK12010398

Formula

C₃₈H₄₇O₂₄

Exact Mass

Calculate m/z

887.245736

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/

Oxalis triangularis (#519208)

Magnoliopsida (#3398)

Acylated anthocyanins from leaves of Oxalis triangularis,
Phytochemistry, 2005

Pubmed ID: 15921712

DOI: 10.1016/j.phytochem.2005.04.009

String Representations

InChiKey (Click to copy)

HVQCUCVOZXRGOG-ZFCVOABISA-O

InChi (Click to copy)

InChI=1S/C38H46O24/c1-12-34(62-24(43)9-23(41)42)30(49)33(52)36(56-12)55-11-22-27(46)29(48)32(51)38(61-22)59-20-8-15-16(57-35(20)13-4-18(53-2)25(44)19(5-13)54-3)6-14(40)7-17(15)58-37-31(50)28(47)26(45)21(10-39)60-37/h4-8,12,21-22,26-34,36-39,45-52H,9-11H2,1-3H3,(H2-,40,41,42,44)/p+1/t12-,21+,22+,26+,27+,28-,29-,30-,31+,32+,33+,34-,36+,37+,38+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=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](OC(CC(=O)O)=O)[C@H](C)O4)O3)=CC1=2