aflatoxin B1, crystalline

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InChI :InChI=1/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
Std.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
InChIKey :OQIQSTLJSLGHID-WNWIJWBNBK
Std.InChIKey: OQIQSTLJSLGHID-WNWIJWBNSA-N
SMILES :COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2
MDL: MFCD00869647
Molar Refractivity :76.01 ± 0.4 cm3 (est)
Parachor :574.6 ± 6.0 cm3 (est)
Index of Refraction :1.686 ± 0.03 (est)
Surface Tension :68.7 ± 5.0 dyne/cm (est)
Density :1.56 ± 0.1 g/cm3 (est)
Polarizability :30.13 ± 0.5 10-24cm3 (est)