BERBERRUBINE-9-O-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24NO10
Molecular Weight	498.4588
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of BERBERRUBINE-9-O-.BETA.-D-GLUCURONIDE

Structure Search

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C(C=C1)C=C4C5=C(CC[N+]4=C3)C=C6OCOC6=C5

InChI

InChIKey=XGXIXPBJUUVSMI-MDYSUIJBSA-O

InChI=1S/C25H23NO10/c1-32-16-3-2-11-6-15-13-8-18-17(33-10-34-18)7-12(13)4-5-26(15)9-14(11)22(16)35-25-21(29)19(27)20(28)23(36-25)24(30)31/h2-3,6-9,19-21,23,25,27-29H,4-5,10H2,1H3/p+1/t19-,20-,21+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H24NO10
Molecular Weight	498.4588
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:33:13 GMT 2025` Edited by `admin` on `Wed Apr 02 07:33:13 GMT 2025`
Record UNII	O2TM3I3UOB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BERBERINE METABOLITE HM4

Preferred Name

English

BERBERRUBINE-9-O-.BETA.-D-GLUCURONIDE

Common Name

English

9-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-10-METHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM

Systematic Name

English

BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 9-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-10-METHOXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

O2TM3I3UOB

Created by admin on Wed Apr 02 07:33:13 GMT 2025 , Edited by admin on Wed Apr 02 07:33:13 GMT 2025

PRIMARY

PUBCHEM

102280080

Created by admin on Wed Apr 02 07:33:13 GMT 2025 , Edited by admin on Wed Apr 02 07:33:13 GMT 2025

PRIMARY

CAS

1148005-24-6

Created by admin on Wed Apr 02 07:33:13 GMT 2025 , Edited by admin on Wed Apr 02 07:33:13 GMT 2025

PRIMARY

Related Record Type Details


					0I8Y3P32UF

BERBERINE

PARENT -> METABOLITE

Qualification:

URINE