Structure Database (LMSD)

Systematic Name
5,6,7,4'-Tetramethoxyflavanone
Synonyms
LM ID
LMPK12140620
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AENXIAWIJGWYCP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(OC)=C1OC

Other Databases

KEGG ID
C15118
CHEBI ID
79637
METABOLOMICS ID
FL2FEANS0003
PubChem CID
242486

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.43
Molar Refractivity 91.41

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Updated at
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