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Details

Stereochemistry UNKNOWN
Molecular Formula C17H12O7
Molecular Weight 328.273
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFLATOXIN M4

SMILES

[H][C@]12OC=C[C@@]1([H])C3=C4OC(=O)C5=C(CC(O)C5=O)C4=C(OC)C=C3O2

InChI

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

HIDE SMILES / InChI

Molecular Formula C17H12O7
Molecular Weight 328.273
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:47:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:28 GMT 2023
Record UNII
TV5I70C6CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFLATOXIN M4
Common Name English
CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,9A-TETRAHYDRO-2-HYDROXY-4-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
104700-21-2
Created by admin on Sat Dec 16 12:47:28 GMT 2023 , Edited by admin on Sat Dec 16 12:47:28 GMT 2023
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FDA UNII
TV5I70C6CC
Created by admin on Sat Dec 16 12:47:28 GMT 2023 , Edited by admin on Sat Dec 16 12:47:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID001110414
Created by admin on Sat Dec 16 12:47:28 GMT 2023 , Edited by admin on Sat Dec 16 12:47:28 GMT 2023
PRIMARY
PUBCHEM
134160048
Created by admin on Sat Dec 16 12:47:28 GMT 2023 , Edited by admin on Sat Dec 16 12:47:28 GMT 2023
PRIMARY