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Details

Stereochemistry RACEMIC
Molecular Formula C11H9ClO5
Molecular Weight 256.639
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-OCHRATOXIN, (±)-

SMILES

CC1CC2=C(Cl)C=C(C(O)=O)C(O)=C2C(=O)O1

InChI

InChIKey=OSFWJKYWJMZKSM-UHFFFAOYSA-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)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
.ALPHA.-OCHRATOXIN, (±)-
Common Name English
1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-
Preferred Name English
5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID
Systematic Name English
5-CHLORO-8-HYDROXY-3,4-DIHYDRO-3-METHYLISOCOUMARIN-7-CARBOXYLIC ACID
Systematic Name English
7-CARBOXY-5-CHLORO-8-HYDROXY-3,4-DIHYDRO-3-METHYLISOCOUMARIN
Systematic Name English
Code System Code Type Description
PUBCHEM
134725
Created by admin on Mon Mar 31 23:40:18 GMT 2025 , Edited by admin on Mon Mar 31 23:40:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID20936751
Created by admin on Mon Mar 31 23:40:18 GMT 2025 , Edited by admin on Mon Mar 31 23:40:18 GMT 2025
PRIMARY
FDA UNII
8EEQ4NWW8H
Created by admin on Mon Mar 31 23:40:18 GMT 2025 , Edited by admin on Mon Mar 31 23:40:18 GMT 2025
PRIMARY
CAS
16281-39-3
Created by admin on Mon Mar 31 23:40:18 GMT 2025 , Edited by admin on Mon Mar 31 23:40:18 GMT 2025
PRIMARY
NIH
NCATS
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