Citrinin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 84
Total Number of Articles : 43
PubChem 54680783
Molecular Formula

C13H14O5

SMILES

C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

InChI

InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1

synonyms
  • citrinin
  • 518-75-2
  • Citriain
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Properties
Property Value
MW 250.25 g/mol
HBD 2
HBA 5
Rotatable Bond Count 1
Exact Mass 250.08412354 g/mol
Monoisotopic Mass 250.08412354 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 536
xlogp 1.7
Topological Polar Surface Area 83.8