3-P-COUMAROYLQUINIC ACID

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 Search

SMILES

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

InChI

InChIKey=BMRSEYFENKXDIS-QHAYPTCMSA-N

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,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 11:17:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:17:04 UTC 2023`
Record UNII	1AF7V9VW0S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-P-COUMAROYLQUINIC ACID

Common Name

English

3-P-COQA

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

1AF7V9VW0S