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Ochratoxin B

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For Research Use Only | Not For Clinical Use
CATAPS4825869
CAS4825-86-9
Structure
IUPAC Name(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Molecular Weight369.37
Molecular FormulaC20H19NO6
Canonical SMILESC[C@@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1
InChIInChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1
Accurate Mass369.1212
FormatNeat
SubcategoryStable isotope labelled compounds, Pharmaceutical and veterinary compounds and metabolites, Environmental toxicology
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