Structure Database (LMSD)

Common Name
Lethedoside A
Systematic Name
Synonyms
  • Luteolin 7,3',4'-trimethyl ether 5-glucoside
LM ID
LMPK12111061
Formula
C24H26O11
Exact Mass
Calculate m/z
490.147515
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)
VCKHKFVWKVWGMH-PFKOEMKTSA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-30-12-7-17-20(18(8-12)34-24-23(29)22(28)21(27)19(10-25)35-24)13(26)9-15(33-17)11-4-5-14(31-2)16(6-11)32-3/h4-9,19,21-25,27-29H,10H2,1-3H3/t19-,21-,22+,23-,24-/m1/s1
SMILES (Click to copy)
C1C=C(OC)C(OC)=CC=1C1=CC(=O)C2C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC(OC)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FCFGS0001
PubChem CID
10390853

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 417.19
Topological Polar Surface Area 159.35
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 3.28
Molar Refractivity 125.13

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Created at
-
Updated at
24th Sep 2021