METHYLOCHRATOXIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21NO6
Molecular Weight	383.3945
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C3C[C@@H](C)OC(=O)C3=C2O

InChI

InChIKey=AHCWMOFIRSZKKF-WBMJQRKESA-N

InChI=1S/C21H21NO6/c1-12-10-14-8-9-15(18(23)17(14)21(26)28-12)19(24)22-16(20(25)27-2)11-13-6-4-3-5-7-13/h3-9,12,16,23H,10-11H2,1-2H3,(H,22,24)/t12-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H21NO6
Molecular Weight	383.3945
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 `Tue Apr 01 16:30:15 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:15 GMT 2025`
Record UNII	P8IK9J1GW4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OCHRATOXIN B METHYL ESTER

Preferred Name

English

METHYLOCHRATOXIN B

Common Name

English

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

Systematic Name

English

OCHRATOXIN B, METHYL ESTER

Common Name

English

Code System Code Type Description

CAS

18496-57-6

Created by admin on Tue Apr 01 16:30:15 GMT 2025 , Edited by admin on Tue Apr 01 16:30:15 GMT 2025

PRIMARY

PUBCHEM

91733735

Created by admin on Tue Apr 01 16:30:15 GMT 2025 , Edited by admin on Tue Apr 01 16:30:15 GMT 2025

PRIMARY

FDA UNII

P8IK9J1GW4

Created by admin on Tue Apr 01 16:30:15 GMT 2025 , Edited by admin on Tue Apr 01 16:30:15 GMT 2025

PRIMARY