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13C6 Ochratoxin A Calibration Solution CRM

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For Research Use Only | Not For Clinical Use
CATAPS003949
IUPAC Name(2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)propanoic acid
Molecular Weight409.77
Molecular Formula13C6C14H18ClNO6
Canonical SMILESCC1Cc2c(Cl)cc(C(=O)N[C@@H](C[13c]3[13cH][13cH][13cH][13cH][13cH]3)C(=O)O)c(O)c2C(=O)O1
InChIInChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10?,15-/m0/s1/i2+1,3+1,4+1,5+1,6+1,11+1
Accurate Mass409.1024
Size1ML
SubcategoryMycotoxins
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