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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H10O5
Molecular Weight 222.1941
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCHRATOXIN .BETA., (S)-

SMILES

C[C@H]1CC2=CC=C(C(O)=O)C(O)=C2C(=O)O1

InChI

InChIKey=POPKYYDFBOZZGX-YFKPBYRVSA-N
InChI=1S/C11H10O5/c1-5-4-6-2-3-7(10(13)14)9(12)8(6)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H10O5
Molecular Weight 222.1941
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 Sat Dec 16 12:47:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:11 GMT 2023
Record UNII
WZL57S3L6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCHRATOXIN .BETA., (S)-
Common Name English
1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
WZL57S3L6E
Created by admin on Sat Dec 16 12:47:11 GMT 2023 , Edited by admin on Sat Dec 16 12:47:11 GMT 2023
PRIMARY
CAS
141315-57-3
Created by admin on Sat Dec 16 12:47:11 GMT 2023 , Edited by admin on Sat Dec 16 12:47:11 GMT 2023
PRIMARY
PUBCHEM
92449349
Created by admin on Sat Dec 16 12:47:11 GMT 2023 , Edited by admin on Sat Dec 16 12:47:11 GMT 2023
PRIMARY