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4-Hydroxyaflatoxin B1

  • Formula: C17H12O7

  • Molecular weight: 328.27

  • Smiles: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O

  • Type: Aflatoxin

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4-Hydroxyaflatoxin B1

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: 4-Hydroxyaflatoxin B1

  • First synonym: None

  • Synonyms: AFLATOXIN M1,6795-23-9,4-Hydroxyaflatoxin B1,Aflatoxin M,CCRIS 15,UNII-I3020O28I3,EINECS 229-865-4,I3020O28I3,AFLATOXIN M1 [MI],25325-49-9,CHEBI:78576,DTXSID40891797,(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,Aflatoxin M1 0.5 microg/mL in Acetonitrile,(6aR,9aR)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione,AFM1,(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione,Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-,CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,9A-TETRAHYDRO-9A-HYDROXY-4-METHOXY-, (6AR,9AR)-,Rel-(6aR,9aR)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione,Aflatoxin M(1),4 Hydroxyaflatoxin B1,Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6aR-cis)-,(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo(10.7.0.0^(2,9).0^(3,7).0^(13,17))nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione,(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,(6aR,9aR)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione,3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo(10.7.0.02,9.03,7.013,17)nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione,3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione,62 - Soft Cheese,pyrimidine-5-carboxylate,60 - Milk (Freeze-dried),DTXCID001031034,Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6ar-cis)-,EX-A5477,Aflatoxin M1, from Aspergillus flavus,AKOS040740684,1ST7209,1ST7209-10A,1ST7209-100A,NS00000082,C16756,Aflatoxin M1 solution in Acetonitrile, 10ug/mL,Aflatoxin M1 solution in Acetonitrile, 100ug/mL,Q26998369,Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino],(6AR-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione,(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,1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-3a,4-dihydroxy-6-methoxyfuro(2,3-b)benzofuran-5-yl)-5-oxo-, delta-lactone,1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-3a,4-dihydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-, .delta.-lactone,Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-,(6ar,9ar)-

Identifiers / External links

Structure

  • Smiles: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O

  • Isomeric 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

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H12O7

  • Molecular weight: 328.27

  • Monoisotopic mass: 328.05830272

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Fungi

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