Structure Database (LMSD)

Common Name
Lethedoside B
Systematic Name
Synonyms
  • Tricetin 7,3',4',5'-trimethyl eter 5-glucoside
LM ID
LMPK12111066
Formula
C25H28O12
Exact Mass
Calculate m/z
520.15808
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)
DODIZDNNBLHXPJ-FGBFUVBKSA-N
InChi (Click to copy)
InChI=1S/C25H28O12/c1-31-12-7-15-20(16(8-12)36-25-23(30)22(29)21(28)19(10-26)37-25)13(27)9-14(35-15)11-5-17(32-2)24(34-4)18(6-11)33-3/h5-9,19,21-23,25-26,28-30H,10H2,1-4H3/t19-,21-,22+,23-,25-/m1/s1
SMILES (Click to copy)
C1C(OC)=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

CHEBI ID
168737
METABOLOMICS ID
FL3FCKGS0002
PubChem CID
11756418

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 443.28
Topological Polar Surface Area 168.58
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 3.29
Molar Refractivity 131.68

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Created at
-
Updated at
24th Sep 2021