Structure Database (LMSD)

Common Name
6-Methoxyluteolin 7-glucuronide methyl ester
Systematic Name
Synonyms
LM ID
LMPK12111212
Formula
C23H22O13
Exact Mass
Calculate m/z
506.106045
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
VSXQXYNBFPOEGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O13/c1-32-20-14(35-23-19(30)17(28)18(29)21(36-23)22(31)33-2)7-13-15(16(20)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-19,21,23-25,27-30H,1-2H3
SMILES (Click to copy)
C1(OC2OC(C(OC)=O)C(O)C(O)C2O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
187026
METABOLOMICS ID
FL3FECGS0039
PubChem CID
44258511

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 414.83
Topological Polar Surface Area 207.65
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 2.28
Molar Refractivity 121.46

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Updated at
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