META-HYDROXYBENZOYLECGONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H19NO5
Molecular Weight	305.3258
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of META-HYDROXYBENZOYLECGONINE

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC(O)=C3)C(O)=O

InChI

InChIKey=XCJJCRPRQYXLRE-AHLTXXRQSA-N

InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H19NO5
Molecular Weight	305.3258
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:13:45 GMT 2025` Edited by `admin` on `Mon Mar 31 18:13:45 GMT 2025`
Record UNII	XD3FI6U4BP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-HYDROXYBENZOYLECGONINE

Preferred Name

English

META-HYDROXYBENZOYLECGONINE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-((3-HYDROXYBENZOYL)OXY)-8-METHYL-, (1R-(EXO,EXO))-

Systematic Name

English

(1R,2R,3S,5S)-3-((3-HYDROXYBENZOYL)OXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID

Systematic Name

English

3-HYDROXYLBENZOYLECGONINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40926533

Created by admin on Mon Mar 31 18:13:45 GMT 2025 , Edited by admin on Mon Mar 31 18:13:45 GMT 2025

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FDA UNII

XD3FI6U4BP

Created by admin on Mon Mar 31 18:13:45 GMT 2025 , Edited by admin on Mon Mar 31 18:13:45 GMT 2025

PRIMARY

PUBCHEM

448357

Created by admin on Mon Mar 31 18:13:45 GMT 2025 , Edited by admin on Mon Mar 31 18:13:45 GMT 2025

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CAS

129944-99-6

Created by admin on Mon Mar 31 18:13:45 GMT 2025 , Edited by admin on Mon Mar 31 18:13:45 GMT 2025

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