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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H14O7
Molecular Weight 330.2889
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFLATOXIN B2A, (R,R,R)-

SMILES

[H][C@@]12O[C@@H](O)C[C@]1([H])C3=C4OC(=O)C5=C(CCC5=O)C4=C(OC)C=C3O2

InChI

InChIKey=PFQSKXVNBUHPIW-LDTXWZCRSA-N
InChI=1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3/t7-,11-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H14O7
Molecular Weight 330.2889
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:08:31 GMT 2023
Edited
by admin
on Sat Dec 16 14:08:31 GMT 2023
Record UNII
WQH3NZ36WX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFLATOXIN B2A, (R,R,R)-
Common Name English
CYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE, 2,3,6A,8,9,9A-HEXAHYDRO-8-HYDROXY-4-METHOXY-, (6AR-(6A.ALPHA.,8.ALPHA.,9A.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
WQH3NZ36WX
Created by admin on Sat Dec 16 14:08:31 GMT 2023 , Edited by admin on Sat Dec 16 14:08:31 GMT 2023
PRIMARY
PUBCHEM
134687500
Created by admin on Sat Dec 16 14:08:31 GMT 2023 , Edited by admin on Sat Dec 16 14:08:31 GMT 2023
PRIMARY
CAS
109278-37-7
Created by admin on Sat Dec 16 14:08:31 GMT 2023 , Edited by admin on Sat Dec 16 14:08:31 GMT 2023
PRIMARY