LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Comanthoside A

Systematic Name

5,7-Dihydroxy-6,4'-dimethoxyflavone 7-(6"-methylglucuronide)

Synonyms

Pectolinarigenin 7-(6''-methylglucuronide)

LM ID

LMPK12111127

Formula

C₂₄H₂₄O₁₂

Exact Mass

Calculate m/z

504.126781

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/

Comanthosphace japonica (#694320)

Magnoliopsida (#3398)

The Constituents of the Leaves of Comanthosphace japonica S. MOORE (Labiatae) : Isolation of Two New Flavone Glycosides, Comanthosides A and B,
Chem Pharm Bull, 1979

DOI: 10.1248/cpb.27.1252

String Representations

InChiKey (Click to copy)

BWUMQHHQRFRBKZ-MJRVOHGCSA-N

InChi (Click to copy)

InChI=1S/C24H24O12/c1-31-11-6-4-10(5-7-11)13-8-12(25)16-14(34-13)9-15(21(32-2)17(16)26)35-24-20(29)18(27)19(28)22(36-24)23(30)33-3/h4-9,18-20,22,24,26-29H,1-3H3/t18-,19-,20+,22-,24+/m0/s1

SMILES (Click to copy)

C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)OC)O2)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1OC