Structure Database (LMSD)

Systematic Name
7-Methoxyflavone
Synonyms
LM ID
LMPK12110021
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)
QKNDCRMJDZLFEG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1

Other Databases

CHEBI ID
192603
METABOLOMICS ID
FL3F19NS0001
PubChem CID
466268
Cayman ID
33497

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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