LIPID MAPS

Structure Database (LMSD)

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Common Name

6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)

Systematic Name

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one

Synonyms

LM ID

LMPK12112847

Formula

C₃₁H₂₈O₁₄

Exact Mass

Calculate m/z

624.147911

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Paepalanthus (#178429)

Magnoliopsida (#3398)

Acyl glucosylated flavonols from Paepalanthus species,
Phytochemistry, 1999

DOI: 10.1016/S0031-9422(99)00028-X

String Representations

InChiKey (Click to copy)

QSWRVQDERAITMT-OXJVYKMDSA-N

InChi (Click to copy)

InChI=1S/C31H28O14/c1-41-29-18(34)12-19-22(24(29)37)25(38)30(28(43-19)15-5-9-17(33)10-6-15)45-31-27(40)26(39)23(36)20(44-31)13-42-21(35)11-4-14-2-7-16(32)8-3-14/h2-12,20,23,26-27,31-34,36-37,39-40H,13H2,1H3/b11-4+/t20-,23-,26+,27-,31+/m1/s1

SMILES (Click to copy)

C1C=C(O)C=CC=1C1=C(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)C(=O)C2C(O)=C(OC)C(O)=CC=2O1

Other Databases

METABOLOMICS ID

FL5FEAGS0022

PubChem CID

70696488

Calculated Physicochemical Properties

Heavy Atoms 45

Rings 5

Aromatic Rings 4

Rotatable Bonds 9

Van der Waals Molecular Volume 528.20

Topological Polar Surface Area 227.88

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 14

logP 4.35

Molar Refractivity 158.03

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Created at

Updated at

19th Feb 2026