Structure Database (LMSD)

Common Name
Glycyrrhiza flavonol A
Systematic Name
Synonyms
LM ID
LMPK12111995
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
Status
Active
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)
UFWHTSBKDGUFOX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3
SMILES (Click to copy)
C12=C(O)C=C(O)C=C1OC(C1C=CC3OC(C)(C)C(O)CC=3C=1)=C(O)C2=O

Other Databases

HMDB ID
HMDB0035527
CHEBI ID
175752
METABOLOMICS ID
FL5FAANP0003
PubChem CID
5317765

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 312.83
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.12
Molar Refractivity 98.46

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Updated at
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