Structure Database (LMSD)

Common Name
Avicularin
Systematic Name
Synonyms
  • Quercetin 3-alpha-L-arabinofuranoside
LM ID
LMPK12112167
Formula
C20H18O11
Exact Mass
Calculate m/z
434.084915
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/

String Representations

InChiKey (Click to copy)
BDCDNTVZSILEOY-UXYNSRGZSA-N
InChi (Click to copy)
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
65460
METABOLOMICS ID
FL5FACGS0001
PubChem CID
5490064
Cayman ID
33918

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 347.99
Topological Polar Surface Area 192.35
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 2.43
Molar Refractivity 105.61

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Created at
-
Updated at
9th Jun 2022