Quinic Acid

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H12O6
Molecular Weight	192.1666
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Quinic Acid

Structure Search

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O

InChI

InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-N

InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C7H12O6
Molecular Weight	192.1666
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 `Fri Dec 15 14:59:39 UTC 2023` Edited by `admin` on `Fri Dec 15 14:59:39 UTC 2023`
Record UNII	058C04BGYI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Quinic Acid

Official Name

English

Quinic acid [WHO-DD]

Common Name

English

QUINIC ACID [INCI]

Common Name

English

QUINIC ACID [MI]

Common Name

English

NSC-59258

Code

English

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3R,4α,5R)-

Systematic Name

English

(-)-QUINIC ACID (CONSTITUENT OF CRANBERRY LIQUID PREPARATION) [DSC]

Common Name

English

D-(-)-Quinic acid

Common Name

English

(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid

Systematic Name

English

QUINIC ACID [USP-RS]

Common Name

English

(-)-QUINIC ACID

Common Name

English

1,3,4,5-Tetrahydroxycyclohexane-1-carboxylic acid

Systematic Name

English

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-

Systematic Name

English

Classification Tree Code System Code

DSLD

227 (Number of products:2)

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

Code System Code Type Description

RS_ITEM_NUM

1594506

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

PRIMARY

ECHA (EC/EINECS)

201-072-8

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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MERCK INDEX

m9445

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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Merck Index

CAS

77-95-2

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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CHEBI

17521

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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FDA UNII

058C04BGYI

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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CAS

562-73-2

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

SMS_ID

300000037939

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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DAILYMED

058C04BGYI

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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EPA CompTox

DTXSID70998288

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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NSC

59258

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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WIKIPEDIA

QUINIC ACID

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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RXCUI

1427232

Created by admin on Fri Dec 15 14:59:39 UTC 2023 , Edited by admin on Fri Dec 15 14:59:39 UTC 2023

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RxNorm

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