Structure Database (LMSD)

Common Name
Formononetin
Systematic Name
Synonyms
LM ID
LMPK12050037
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HKQYGTCOTHHOMP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3=CC=C(OC)C=C3)C(=O)C=2C=C1

Other Databases

Wikipedia
Formononetin
KEGG ID
C00858
HMDB ID
HMDB0005808
CHEBI ID
18088
METABOLOMICS ID
FLIA1ANS0001
PubChem CID
5280378
Cayman ID
17558

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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