Structure Database (LMSD)

Systematic Name
4,6,3',4'-Tetramethoxyaurone
Synonyms
  • Rengasin trimethyl ether
LM ID
LMPK12130052
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
CVKDSGICIOMAGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-21-12-9-15(24-4)18-16(10-12)25-17(19(18)20)8-11-5-6-13(22-2)14(7-11)23-3/h5-10H,1-4H3
SMILES (Click to copy)
C1(OC)C=C2OC(=CC3C=CC(OC)=C(OC)C=3)C(=O)C2=C(OC)C=1

Other Databases

METABOLOMICS ID
FL1ADFNS0001
PubChem CID
42607782

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 310.00
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.34
Molar Refractivity 92.03

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Updated at
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