Structure Database (LMSD)

Systematic Name
7-Methoxyflavanone
Synonyms
LM ID
LMPK12140019
Formula
C16H14O3
Exact Mass
Calculate m/z
254.094295
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)
VYESEQLQFXUROZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

Other Databases

METABOLOMICS ID
FL2F19NS0002
PubChem CID
2825024

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 234.37
Topological Polar Surface Area 37.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.40
Molar Refractivity 71.75

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Updated at
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