Structure Database (LMSD)

Common Name
Licoflavanone
Systematic Name
Synonyms
LM ID
LMPK12140288
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
CGKWSLSAYABZTL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
SMILES (Click to copy)
C1C(O)=CC2OC(C3C=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

HMDB ID
HMDB0029866
CHEBI ID
174568
METABOLOMICS ID
FL2FAANI0014
PubChem CID
14218027

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.02
Molar Refractivity 93.33

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Updated at
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