Structure Database (LMSD)

Common Name
Licoisoflavanone
Systematic Name
Synonyms
LM ID
LMPK12050492
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
JNDPLDZUOFZXIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-8,13,21-23H,9H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C4OC(C)(C)C=CC4=C3O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIBALNP0001
PubChem CID
392443

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 314.94
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.92
Molar Refractivity 95.19

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