OCHRATOXIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19NO6
Molecular Weight	369.368
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=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O

InChI

InChIKey=DAEYIVCTQUFNTM-ABAIWWIYSA-N

InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H19NO6
Molecular Weight	369.368
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:09:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:09:29 GMT 2023`
Record UNII	ECJ5WS94N2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OCHRATOXIN B

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

OCHRATOXIN B [HSDB]

Common Name

English

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

Systematic Name

English

OCHRATOXIN B [MI]

Common Name

English

Code System Code Type Description

CAS

4825-86-9