5-CAFFEOYLSHIKIMIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16O8
Molecular Weight	336.2934
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=QMPHZIPNNJOWQI-GDDAOPKQSA-N

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16O8
Molecular Weight	336.2934
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:14:05 UTC 2023` Edited by `admin` on `Fri Dec 15 19:14:05 UTC 2023`
Record UNII	5U399BD0RZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-CAFFEOYLSHIKIMIC ACID

Common Name

English

TRANS-5-O-CAFFEOYLSHIKIMIC ACID

Common Name

English

1-CYCLOHEXENE-1-CARBOXYLIC ACID, 5-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-3,4-DIHYDROXY-, (3R,4R,5R)-

Common Name

English

5-CSA

Common Name

English

TRANS-CAFFEIC ACID 5-O-SHIKIMATE

Common Name

English

1-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-4,5-DIHYDROXY-, (3R,4R,5R)-

Systematic Name

English

DACTYLIFRIC ACID

Common Name

English

5-O-CAFFEOYLSHIKIMIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

5281762