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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.

SMILES

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

InChI

InChIKey=POPKYYDFBOZZGX-RXMQYKEDSA-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-/m1/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 11:10:04 GMT 2023
Edited
by admin
on Sat Dec 16 11:10:04 GMT 2023
Record UNII
AMJ4MCG816
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCHRATOXIN .BETA.
Common Name English
1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-, (3R)-
Systematic Name English
(3R)-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID
Systematic Name English
OCHRATOXIN BETA
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30188446
Created by admin on Sat Dec 16 11:10:04 GMT 2023 , Edited by admin on Sat Dec 16 11:10:04 GMT 2023
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CAS
34892-10-9
Created by admin on Sat Dec 16 11:10:04 GMT 2023 , Edited by admin on Sat Dec 16 11:10:04 GMT 2023
PRIMARY
FDA UNII
AMJ4MCG816
Created by admin on Sat Dec 16 11:10:04 GMT 2023 , Edited by admin on Sat Dec 16 11:10:04 GMT 2023
PRIMARY
PUBCHEM
56843187
Created by admin on Sat Dec 16 11:10:04 GMT 2023 , Edited by admin on Sat Dec 16 11:10:04 GMT 2023
PRIMARY