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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H9ClO5
Molecular Weight 256.639
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-OCHRATOXIN

SMILES

C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(O)=O

InChI

InChIKey=OSFWJKYWJMZKSM-SCSAIBSYSA-N
InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)/t4-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H9ClO5
Molecular Weight 256.639
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:50:26 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:26 GMT 2023
Record UNII
EB6BD1257Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-OCHRATOXIN
Common Name English
7-CARBOXY-5-CHLORO-8-HYDROXY-3,4-DIHYDRO-3R-METHYLISOCOUMARIN
Common Name English
(R)-OCHRATOXIN .ALPHA.
Common Name English
.ALPHA.-OCHRATOXIN, (-)-
Common Name English
(3R)-5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID
Systematic Name English
7-ISOCHROMANCARBOXYLIC ACID, 5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-, (R)-
Common Name English
1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-, (3R)-
Systematic Name English
Code System Code Type Description
CHEBI
133917
Created by admin on Fri Dec 15 17:50:26 GMT 2023 , Edited by admin on Fri Dec 15 17:50:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID601017595
Created by admin on Fri Dec 15 17:50:26 GMT 2023 , Edited by admin on Fri Dec 15 17:50:26 GMT 2023
PRIMARY
FDA UNII
EB6BD1257Y
Created by admin on Fri Dec 15 17:50:26 GMT 2023 , Edited by admin on Fri Dec 15 17:50:26 GMT 2023
PRIMARY
CAS
19165-63-0
Created by admin on Fri Dec 15 17:50:26 GMT 2023 , Edited by admin on Fri Dec 15 17:50:26 GMT 2023
PRIMARY
PUBCHEM
107911
Created by admin on Fri Dec 15 17:50:26 GMT 2023 , Edited by admin on Fri Dec 15 17:50:26 GMT 2023
PRIMARY