OCHRATOXIN .BETA., (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H10O5
Molecular Weight	222.1941
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1CC2=C(C(=O)O1)C(O)=C(C=C2)C(O)=O

InChI

InChIKey=POPKYYDFBOZZGX-UHFFFAOYSA-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)

HIDE SMILES / InChI

Molecular Formula	C11H10O5
Molecular Weight	222.1941
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:09:37 GMT 2025` Edited by `admin` on `Tue Apr 01 20:09:37 GMT 2025`
Record UNII	ILX1B0X92K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-ISOCHROMANCARBOXYLIC ACID, 8-HYDROXY-3-METHYL-1-OXO-

Preferred Name

English

OCHRATOXIN .BETA., (±)-

Common Name

English

3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID

Systematic Name

English

8-HYDROXY-3-METHYL-1-OXO-ISOCHROMANE-7-CARBOXYLIC ACID

Systematic Name

English

7-CARBOXY-3,4-DIHYDRO-8-HYDROXY-3-METHYLISOCOUMARIN

Systematic Name

English

8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANCARBOXYLIC ACID

Systematic Name

English

1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-

Systematic Name

English

Code System Code Type Description

CAS

16281-43-9

Created by admin on Tue Apr 01 20:09:37 GMT 2025 , Edited by admin on Tue Apr 01 20:09:37 GMT 2025

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PUBCHEM

11550320

Created by admin on Tue Apr 01 20:09:37 GMT 2025 , Edited by admin on Tue Apr 01 20:09:37 GMT 2025

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FDA UNII

ILX1B0X92K

Created by admin on Tue Apr 01 20:09:37 GMT 2025 , Edited by admin on Tue Apr 01 20:09:37 GMT 2025

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