Structure Database (LMSD)

Common Name
Licoisoflavone A
Systematic Name
Synonyms
LM ID
LMPK12050286
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
KCUZCRLRQVRBBV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3=C(O)C(C/C=C(\C)/C)=C(O)C=C3)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C10486
HMDB ID
HMDB0034125
CHEBI ID
28620
METABOLOMICS ID
FLIAALNI0001
PubChem CID
5281789

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 313.76
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.69
Molar Refractivity 97.82

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Updated at
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