Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7-arabinopyranoside
Systematic Name
Synonyms
LM ID
LMPK12111180
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)
MWTIXVAPAPFDDA-RWQQEVPHSA-N
InChi (Click to copy)
InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)12-4-10(23)15-13(30-12)5-14(17(26)18(15)27)31-20-19(28)16(25)11(24)6-29-20/h1-5,11,16,19-22,24-28H,6H2/t11-,16-,19+,20-/m0/s1
SMILES (Click to copy)
C1(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FECGS0007
PubChem CID
44258480

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
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
12th Apr 2022