Structure Database (LMSD)

Common Name
Luteolin 5,3'-dimethyl ether 7-glucoside
Systematic Name
Synonyms
LM ID
LMPK12110966
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Active
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)
GRYWSROVPQJCDJ-DODNOZFWSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-15-5-10(3-4-12(15)25)14-8-13(26)19-16(31-2)6-11(7-17(19)33-14)32-23-22(29)21(28)20(27)18(9-24)34-23/h3-8,18,20-25,27-29H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=CC(=O)C2C(OC)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FBDGS0001
PubChem CID
101688472

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 170.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.98
Molar Refractivity 120.24

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Created at
-
Updated at
24th Sep 2021