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52819-96-2

52819-96-2 structural image
Product Name: aflatoxin Q1
Formula: C17H12O7
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COMPUTED DESCRIPTORS

Molecular Weight 328.27 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 328.05830272 g/mol
Monoisotopic Mass 328.05830272 g/mol
Topological Polar Surface Area 91.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 680
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Aflatoxin Q1 is a member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at the pro-3S position is replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a carcinogenic agent. It is an aflatoxin, an aromatic ether and an aromatic ketone. It is functionally related to an aflatoxin B1.