OCHRATOXIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18ClNO6
Molecular Weight	403.813
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C=C2Cl)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O

InChI

InChIKey=RWQKHEORZBHNRI-BMIGLBTASA-N

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18ClNO6
Molecular Weight	403.813
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:46:04 UTC 2023` Edited by `admin` on `Fri Dec 15 17:46:04 UTC 2023`
Record UNII	1779SX6LUY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCHRATOXIN A

Common Name

English

ALANINE, N-((5-CHLORO-8-HYDROXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3-PHENYL-, (-)-

Systematic Name

English

L-PHENYLALANINE, N-(((3R)-5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-

Systematic Name

English

OCHRATOXIN A [HSDB]

Common Name

English

(R)-N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-BENZO(C)PYRAN-7-YL)CARBONYL)-3-PHENYLALANINE

Systematic Name

English

(R)-N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-L-PHENYLALANINE

Systematic Name

English

PHENYLALANINE-OCHRATOXIN A

Common Name

English

NSC-201422

Code

English

OCHRATOXIN A [MI]

Common Name

English

OCHRATOXIN A [IARC]

Common Name

English

L-PHENYLALANINE, N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, (R)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45175