Aflatoxin B1

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 428
Total Number of Articles : 696
PubChem 186907
Molecular Formula

C17H12O6

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1

InChI

InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1

synonyms
  • AFLATOXIN B1
  • 1162-65-8
  • AFB1
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Properties
Property Value
MW 312.27 g/mol
HBD 0
HBA 6
Rotatable Bond Count 1
Exact Mass 312.06338810 g/mol
Monoisotopic Mass 312.06338810 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 650
xlogp 1.6
Topological Polar Surface Area 71.1