Aflatoxin M1

CAT: 1596-AR-A04789-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A04789-02Size:25 Units

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CAS Number

6795-23-9

Molecular Formula

C17H12O7

Molecular Weight

328.28

API Name

Aflatoxin

Chemical Information

Aflatoxin M1

Aflatoxin M1 is a member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group. It has a role as a mammalian metabolite, an Aspergillus metabolite and a human xenobiotic metabolite. It is an aflatoxin, a tertiary alcohol, an aromatic ether and an aromatic ketone. It is functionally related to an aflatoxin B1.

CAS Number	6795-23-9
PubChem CID	15558498
IUPAC Name	(3R,7R)-3-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
Molecular Formula	C17H12O7
Molecular Weight	328.27
XLogP	0.5
Topological Polar Surface Area	91.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	24
Formal Charge	0
Complexity	695

SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O

InChI

InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1

InChIKey

MJBWDEQAUQTVKK-IAGOWNOFSA-N

Chemical Structure

2D Structure

CAS: 6795-23-9

CID: 15558498

Formula: C17H12O7

MW: 328.27

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	328.27
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	328.05830272
Monoisotopic Mass	328.05830272
Topological Polar Surface Area	91.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	695
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-A01513-01	Aflatoxin M2
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AR-V06732-01	Vismodegib M1
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AR-A05774-01	Aflatoxin B2-13C-d3

Alternative Products

Catalog	Name
MO-M40025B-01	Aflatoxin
JL18768-01	Aflatoxin M1 (Aflatoxin M1) ELISA Kit
YP-W95030-01	Aflatoxin B1 (Aflatoxin B1) ELISA Kit
YP-W95031-01	Aflatoxin B2 (Aflatoxin B2) ELISA Kit
TRC-A357530-0.25MG	Aflatoxin Q1
10-1430	Aflatoxin antibody
CS-T-47473	Aflatoxin G2
FA17239-01	Aflatoxin P2
FA17237	Aflatoxin M2
FA17233-01	Aflatoxin B2

Aflatoxin M1

Chemical Information

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