LIPID MAPS

Structure Database (LMSD)

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Common Name

Mearnsitrin

Systematic Name

3,3',5,5',7-Pentahydroxy-4'-methoxyflavone 3-rhamnoside

Synonyms

2-(4-Methoxy-3,5-dihydroxyphenyl)-3-(6-deoxy-alpha-L-mannopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
Mearnsetin 3-rhamnoside

LM ID

LMPK12112501

Formula

C₂₂H₂₂O₁₂

Exact Mass

Calculate m/z

478.11113

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/

Acacia mearnsii (#139012)

Magnoliopsida (#3398)

The flavonoids of the leaves of Acacia mearnsii,
Phytochemistry, 1969

DOI: 10.1016/S0031-9422(00)85974-9

String Representations

InChiKey (Click to copy)

NAQNISJXKDSYJD-DHWIRCOFSA-N

InChi (Click to copy)

InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1

SMILES (Click to copy)

O(C1C(=O)C2=C(OC=1C1C=C(O)C(OC)=C(O)C=1)C=C(O)C=C2O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

Other Databases

CHEBI ID

167827

METABOLOMICS ID

FL5FAJGS0001

PubChem CID

6918652

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 4

Aromatic Rings 3

Rotatable Bonds 4

Van der Waals Molecular Volume 391.38

Topological Polar Surface Area 201.58

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 12

logP 2.83

Molar Refractivity 116.78

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Created at

Updated at

21st Aug 2026