LIPID MAPS

Structure Database (LMSD)

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Common Name

2'-C-Methylmyricetin 3-rhamnoside-5'-gallate

Systematic Name

5-[3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenylester 3,4,5-trihydroxy-benzoic acid

Synonyms

LM ID

LMPK12112430

Formula

C₂₉H₂₆O₁₆

Exact Mass

Calculate m/z

630.122091

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/

Syzygium samarangense (#260143)

Magnoliopsida (#3398)

New and rare flavonol glycosides from leaves of Syzygium samarangense,
Fitoterapia, 1999

DOI: 10.1016/S0367-326X(99)00013-1

String Representations

InChiKey (Click to copy)

UETPEBBTEWIQAH-BZLZHIPMSA-N

InChi (Click to copy)

InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3/t9-,20-,24+,25+,29-/m0/s1

SMILES (Click to copy)

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

Other Databases

METABOLOMICS ID

FL5FAGGM0001

PubChem CID

165366667

Calculated Physicochemical Properties

Heavy Atoms 45

Rings 5

Aromatic Rings 4

Rotatable Bonds 6

Van der Waals Molecular Volume 513.82

Topological Polar Surface Area 279.34

Hydrogen Bond Donors 10

Hydrogen Bond Acceptors 16

logP 3.46

Molar Refractivity 151.36

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Created at

Updated at

14th Jul 2026