Structure Database (LMSD)

Common Name
Flavone
Systematic Name
Synonyms
LM ID
LMPK12110097
Status
Active
Exact Mass
Calculate m/z
222.06808
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VHBFFQKBGNRLFZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
SMILES (Click to copy)
C1=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1

References

Taxonomy Information

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 194.74
Topological Polar Surface Area 30.21
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.36
Molar Refractivity 68.03

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Created at
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Updated at
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