LIPID MAPS

Structure Database (LMSD)

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Common Name

Myricetin 3-(2''-galloylglucoside)

Systematic Name

3,3',4',5,5',7-Hexahydroxyflavone 3-(2''-galloylglucoside)

Synonyms

5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

LM ID

LMPK12112461

Formula

C₂₈H₂₄O₁₇

Exact Mass

Calculate m/z

632.101356

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/

Geranium pratense (#487788)

Magnoliopsida (#3398)

Polyphenolic compounds from Geranium pratense and their free radical scavenging activities.,
Phytochemistry, 2001

Pubmed ID: 11219813

DOI: 10.1016/s0031-9422(00)00367-8

String Representations

InChiKey (Click to copy)

QYLKPOARSREGIU-FFVLWRMUSA-N

InChi (Click to copy)

InChI=1S/C28H24O17/c29-7-17-21(38)23(40)26(44-27(41)9-3-14(34)20(37)15(35)4-9)28(43-17)45-25-22(39)18-11(31)5-10(30)6-16(18)42-24(25)8-1-12(32)19(36)13(33)2-8/h1-6,17,21,23,26,28-38,40H,7H2/t17-,21-,23+,26-,28+/m1/s1

SMILES (Click to copy)

C1C(O)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](OC(=O)C3C=C(O)C(O)=C(O)C=3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1

Other Databases

METABOLOMICS ID

FL5FAGGS0029

PubChem CID

101114351

Calculated Physicochemical Properties

Heavy Atoms 45

Rings 5

Aromatic Rings 4

Rotatable Bonds 7

Van der Waals Molecular Volume 505.31

Topological Polar Surface Area 299.57

Hydrogen Bond Donors 11

Hydrogen Bond Acceptors 17

logP 2.76

Molar Refractivity 148.43

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Created at

Updated at

15th Sep 2026