Structure Database (LMSD)

Common Name
Luteolin 3'-methyl ether 7-xyloside
Systematic Name
Synonyms
LM ID
LMPK12110768
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
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)
MPTFDTWDAMXZDG-ZQEFQCJFSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-28-16-4-9(2-3-11(16)22)15-7-13(24)18-12(23)5-10(6-17(18)31-15)30-21-20(27)19(26)14(25)8-29-21/h2-7,14,19-23,25-27H,8H2,1H3/t14-,19+,20-,21+/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FADGS0002
PubChem CID
11957949

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 161.12
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 3.03
Molar Refractivity 108.84

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Created at
-
Updated at
12th Apr 2022