4-HYDROXYOCHRATOXIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18ClNO7
Molecular Weight	419.812
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1OC(=O)C2=C([C@H]1O)C(Cl)=CC(C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)=C2O

InChI

InChIKey=BCZIFDALJWPHTK-YYFNMXAFSA-N

InChI=1S/C20H18ClNO7/c1-9-16(23)14-12(21)8-11(17(24)15(14)20(28)29-9)18(25)22-13(19(26)27)7-10-5-3-2-4-6-10/h2-6,8-9,13,16,23-24H,7H2,1H3,(H,22,25)(H,26,27)/t9-,13+,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H18ClNO7
Molecular Weight	419.812
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:18:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:18:47 GMT 2025`
Record UNII	O73WZV6DIP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXYOCHRATOXIN A

Common Name

English

(4R)-4-HYDROXYOCHRATOXIN A

Preferred Name

English

4(R)-HYDROXYOCHRATOXIN A

Common Name

English

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

Systematic Name

English

4-HYDROXYOCHRATOXIN A, (4S)-

Common Name

English

Code System Code Type Description

MESH

C025650