4-P-COUMAROYLQUINIC ACID, (Z)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O8
Molecular Weight	338.3093
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-P-COUMAROYLQUINIC ACID, (Z)-

Structure Search

SMILES

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

InChI

InChIKey=XWRHBGVVCOSNKO-JMYXGHFSSA-N

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18O8
Molecular Weight	338.3093
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 05:01:08 UTC 2023` Edited by `admin` on `Sat Dec 16 05:01:08 UTC 2023`
Record UNII	JPR656M103
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-P-COUMAROYLQUINIC ACID, (Z)-

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 1,3,5-TRIHYDROXY-4-(((2Z)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-, (1.ALPHA.,3R,4.ALPHA.,5R)-

Systematic Name

English

CIS-4-O-COUMAROYLQUINIC ACID

Common Name

English

CIS-4-P-CQA

Common Name

English

Code System Code Type Description

FDA UNII

JPR656M103

Created by admin on Sat Dec 16 05:01:08 UTC 2023 , Edited by admin on Sat Dec 16 05:01:08 UTC 2023

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CAS

934391-78-3

Created by admin on Sat Dec 16 05:01:08 UTC 2023 , Edited by admin on Sat Dec 16 05:01:08 UTC 2023

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