Structure Database (LMSD)

Common Name
Europetin
Systematic Name
Synonyms
LM ID
LMPK12112664
Formula
C16H12O8
Exact Mass
Calculate m/z
332.05322
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)
BDZXSHDKBKYQKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-7-4-8(17)12-11(5-7)24-16(15(22)14(12)21)6-2-9(18)13(20)10(19)3-6/h2-5,17-20,22H,1H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

Wikipedia
Europetin
CHEBI ID
145786
METABOLOMICS ID
FL5FCGNS0001
PubChem CID
44259636
PDB ID
HER

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.78
Topological Polar Surface Area 140.59
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.90
Molar Refractivity 82.90

Admin

Created at
-
Updated at
-