Structure Database (LMSD)

Common Name
Rhamnetin 3-alpha-L-arabinofuranoside
Systematic Name
3,5,3',4'-Tetrahydroxy-7-methoxyflavone 3-α-L-arabinofuranoside
Synonyms
LM ID
LMPK12112611
Formula
C21H20O11
Exact Mass
Calculate m/z
448.100565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Euphorbia amygdaloides (#38843)
Magnoliopsida (#3398)
[Flavonol glycosides of Euphorbia amygdaloides and their quantitative determination at various stages of plant development. 5. Flavonoids of native Euphorbiaceae].,
Planta Med, 1970
Pubmed ID: 5439745

String Representations

InChiKey (Click to copy)
QAPQWXBHYXLWTP-USOFNBIVSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-29-9-5-12(25)15-13(6-9)30-19(8-2-3-10(23)11(24)4-8)20(17(15)27)32-21-18(28)16(26)14(7-22)31-21/h2-6,14,16,18,21-26,28H,7H2,1H3/t14-,16-,18+,21-/m0/s1
SMILES (Click to copy)
O[C@H]1[C@H](OC2C(C3C(=CC(=CC=3OC=2C2=CC=C(C(=C2)O)O)OC)O)=O)O[C@@H](CO)[C@@H]1O

Other Databases

METABOLOMICS ID
FL5FCCGS0001
PubChem CID
49766656

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 365.29
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 2.73
Molar Refractivity 110.50

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Created at
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Updated at
7th Jun 2024