NEOCHLOROGENIC ACID, (Z)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O9
Molecular Weight	354.3087
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C/C2=CC=C(O)C(O)=C2)[C@H]1O)C(O)=O

InChI

InChIKey=CWVRJTMFETXNAD-DJTMHQFBSA-N

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18O9
Molecular Weight	354.3087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:11:01 UTC 2023` Edited by `admin` on `Sat Dec 16 05:11:01 UTC 2023`
Record UNII	6RO47OBY4X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOCHLOROGENIC ACID, (Z)-

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 3-(((2Z)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1R,3R,4S,5R)-

Systematic Name

English

CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1R-(1.ALPHA.,3.ALPHA.(Z),4.ALPHA.,5.BETA.))-

Systematic Name

English

CYCLOHEXANECARBOXYLIC ACID, 3-(((2Z)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4,5-TRIHYDROXY-, (1R,3R,4S,5R)-

Systematic Name

English

CIS-3-CQA

Common Name

English

CIS-3-CAFFEOYLQUINIC ACID

Common Name

English

(Z)-NEOCHLOROGENIC ACID

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701029769

Created by admin on Sat Dec 16 05:11:01 UTC 2023 , Edited by admin on Sat Dec 16 05:11:01 UTC 2023

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FDA UNII

6RO47OBY4X

Created by admin on Sat Dec 16 05:11:01 UTC 2023 , Edited by admin on Sat Dec 16 05:11:01 UTC 2023

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PUBCHEM

12310831

Created by admin on Sat Dec 16 05:11:01 UTC 2023 , Edited by admin on Sat Dec 16 05:11:01 UTC 2023

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CAS

32719-11-2

Created by admin on Sat Dec 16 05:11:01 UTC 2023 , Edited by admin on Sat Dec 16 05:11:01 UTC 2023

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