JATRORRHIZINE O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28NO10
Molecular Weight	514.5012
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of JATRORRHIZINE O-GLUCURONIDE

Structure Search

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3CC[N+]4=C(C=C5C=CC(OC)=C(OC)C5=C4)C3=C1

InChI

InChIKey=OWLWOIDXUUAFMC-SNYRDRRFSA-O

InChI=1S/C26H27NO10/c1-33-17-5-4-12-8-16-14-10-18(34-2)19(9-13(14)6-7-27(16)11-15(12)23(17)35-3)36-26-22(30)20(28)21(29)24(37-26)25(31)32/h4-5,8-11,20-22,24,26,28-30H,6-7H2,1-3H3/p+1/t20-,21-,22+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H28NO10
Molecular Weight	514.5012
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 `Sat Dec 16 16:32:23 GMT 2023` Edited by `admin` on `Sat Dec 16 16:32:23 GMT 2023`
Record UNII	SK9MBM5DJ5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JATRORRHIZINE O-GLUCURONIDE

Common Name

English

JATRORRHIZINE-3-O-BETA-D-GLUCURONIDE

Common Name

English

3-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-2,9,10-TRIMETHOXYDIBENZO(A,G)QUINOLIZINIUM

Systematic Name

English

BERBERINE METABOLITE HM2

Common Name

English

DIBENZO(A,G)QUINOLIZINIUM, 3-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-2,9,10-TRIMETHOXY-

Systematic Name

English

Code System Code Type Description

CAS

1148005-23-5

Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023

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PUBCHEM

102280079

Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023

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FDA UNII

SK9MBM5DJ5

Created by admin on Sat Dec 16 16:32:24 GMT 2023 , Edited by admin on Sat Dec 16 16:32:24 GMT 2023

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Related Record Type Details


					0I8Y3P32UF

BERBERINE

PARENT -> METABOLITE

Qualification:

URINE