1-BETA-CARBOXYLATED ISTRADEFYLLINE

CCn1c2c(c(=O)n(CC(=O)O)c1=O)n(C)c(/C(/[H])=C(\[H])/c3ccc(c(c3)OC)OC)n2

InChIKey=IFXGNJXTRYQSLJ-VQHVLOKHSA-N

InChI=1S/C20H22N4O6/c1-5-23-18-17(19(27)24(20(23)28)11-16(25)26)22(2)15(21-18)9-7-12-6-8-13(29-3)14(10-12)30-4/h6-10H,5,11H2,1-4H3,(H,25,26)/b9-7+

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Substance Class	Chemical Created by `admin` on `Sat Jun 26 11:14:01 UTC 2021` Edited by `admin` on `Sat Jun 26 11:14:01 UTC 2021`
Record UNII	5EM6OCN637
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

1-BETA-CARBOXYLATED ISTRADEFYLLINE

Common Name

English

2-(8-((E)-2-(3,4-DIMETHOXYPHENYL)VINYL)-3-ETHYL-7-METHYL-2,6-DIOXO-PURIN-1-YL)ACETIC ACID

Systematic Name

English

ISTRADEFYLLINE METABOLITE M17

Common Name

English

Code System Code Type Description

FDA UNII

5EM6OCN637

Created by admin on Sat Jun 26 11:14:01 UTC 2021 , Edited by admin on Sat Jun 26 11:14:01 UTC 2021

PRIMARY

PUBCHEM

145721942

Created by admin on Sat Jun 26 11:14:01 UTC 2021 , Edited by admin on Sat Jun 26 11:14:01 UTC 2021

PRIMARY

Related Record Type Details


					2GZ0LIK7T4

PARENT -> METABOLITE

Qualification:

FECAL