Structure Database (LMSD)

Common Name
Ugonin C
Systematic Name
Synonyms
LM ID
LMPK12112680
Formula
C21H20O6
Exact Mass
Calculate m/z
368.12599
Status
Curated
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)
QJGHPSMBMKFFEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-10-21(2,3)16-14(26-10)9-13(23)15-17(24)20(25-4)18(27-19(15)16)11-5-7-12(22)8-6-11/h5-10,22-23H,1-4H3
SMILES (Click to copy)
C12C(=O)C(OC)=C(C3C=CC(O)=CC=3)OC=1C1C(C)(C)C(C)OC=1C=C2O

Other Databases

CHEBI ID
197166
METABOLOMICS ID
FL5FDANF0004
PubChem CID
5315115

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 321.34
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.12
Molar Refractivity 101.54

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Updated at
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