Structure Database (LMSD)

Common Name
Luteolin 3'-methyl ether 7,4'-dixyloside
Systematic Name
Synonyms
LM ID
LMPK12110780
Formula
C26H28O14
Exact Mass
Calculate m/z
564.14791
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)
AOCJZGWXBZGZNB-ASPRRVMBSA-N
InChi (Click to copy)
InChI=1S/C26H28O14/c1-35-18-4-10(2-3-16(18)40-26-24(34)22(32)15(30)9-37-26)17-7-13(28)20-12(27)5-11(6-19(20)39-17)38-25-23(33)21(31)14(29)8-36-25/h2-7,14-15,21-27,29-34H,8-9H2,1H3/t14-,15-,21+,22+,23-,24-,25+,26+/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[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FADGS0014
PubChem CID
44258196

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 465.80
Topological Polar Surface Area 222.11
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 2.57
Molar Refractivity 138.10

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Created at
-
Updated at
29th Nov 2021