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Details

Stereochemistry RACEMIC
Molecular Formula C16H12O5
Molecular Weight 284.2635
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHOXYAFLATOXIN B2, (±)-

SMILES

[H][C@]12OCC[C@@]1([H])C3=C(O2)C=CC4=C3OC(=O)C5=C4CCC5=O

InChI

InChIKey=BUDMEHGVRAOUAD-XXFAHNHDSA-N
InChI=1S/C16H12O5/c17-10-3-1-7-8-2-4-11-13(9-5-6-19-16(9)20-11)14(8)21-15(18)12(7)10/h2,4,9,16H,1,3,5-6H2/t9-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H12O5
Molecular Weight 284.2635
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:39 GMT 2023
Record UNII
I47B65VA5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMETHOXYAFLATOXIN B2, (±)-
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-, CIS-(±)-
Systematic 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-, (6AR,9AS)-REL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15698997
Created by admin on Sat Dec 16 12:52:39 GMT 2023 , Edited by admin on Sat Dec 16 12:52:39 GMT 2023
PRIMARY
FDA UNII
I47B65VA5P
Created by admin on Sat Dec 16 12:52:39 GMT 2023 , Edited by admin on Sat Dec 16 12:52:39 GMT 2023
PRIMARY
CAS
135365-46-7
Created by admin on Sat Dec 16 12:52:39 GMT 2023 , Edited by admin on Sat Dec 16 12:52:39 GMT 2023
PRIMARY