Structure Database (LMSD)

Systematic Name
6-Methoxyflavone
Synonyms
LM ID
LMPK12110100
Formula
C16H12O3
Exact Mass
Calculate m/z
252.078645
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)
XZQLSABETMKIGG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1OC

Other Databases

CHEBI ID
193017
METABOLOMICS ID
FL3F99NS0004
PubChem CID
147157

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 220.83
Topological Polar Surface Area 39.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.37
Molar Refractivity 74.58

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Updated at
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