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Product Overview

Product Code

TRC-A357530

CAS Number

52819-96-2

Product Format

Neat

Molecular Formula

C17 H12 O7

Molecular Weight

328.27

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite

Drug Type

Other Drugs & Biomarkers

Documentation

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Product Information

Chemical Data

Analyte Name

Aflatoxin Q1

CAS Number

52819-96-2

Molecular Formula

C17 H12 O7

Molecular Weight

328.27

Accurate Mass

328.0583

SMILES

COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@@H](O)CC5=O)c14

InChI

InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6-,7-,17+/m0/s1

IUPAC

(3S,7R,14S)-14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

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