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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 of CHLOROGENIC ACID

SMILES

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

InChI

InChIKey=CWVRJTMFETXNAD-JUHZACGLSA-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

Approval Year

Unknown
86413
Name Type Language
CHLOROGENIC ACID
MI  
Common Name English
5-O-(3,4-DIHYDROXYCINNAMOYL)-L-QUINIC ACID
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 3-(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4,5-TRIHYDROXY-, (1S,3R,4R,5R)-
Systematic Name English
HERIGUARD
Brand Name English
Chlorogenic acid [WHO-DD]
Common Name English
TRANS-CAFFEIC ACID 5-O-D-QUINATE
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S-(1-.ALPHA.,3-.BETA.,4-.ALPHA.,5-.ALPHA.))-
Common Name English
(+)-CHLOROGENIC ACID
Common Name English
CP CHLOROGENIC ACID
Brand Name English
5-CQA
Common Name English
TRANS-5-O-CAFFEOYLQUINIC ACID
Common Name English
NSC-407296
Code English
NSC-70861
Code English
CHLOROGENIC ACID (CONSTITUENT OF ST. JOHN'S WORT) [DSC]
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S,3R,4R,5R)-
Common Name English
CHLOROGENIC ACID [USP-RS]
Common Name English
CHLOROGENIC ACID [MI]
Common Name English
CHLOROGENIC ACID (CONSTITUENT OF ECHINACEA ANGUSTIFOLIA ROOT, ECHINACEA PALLIDA ROOT, ECHINACEA PURPUREA ROOT AND ECHINACEA PURPUREA AERIAL PARTS) [DSC]
Common Name English
TRANS-CHLOROGENIC ACID
Common Name English
Classification Tree Code System Code
DSLD 354 (Number of products:22)
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
NCI_THESAURUS C28203
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID3024786
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
PUBCHEM
1794427
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
MESH
D002726
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
MERCK INDEX
m3413
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY Merck Index
DAILYMED
318ADP12RI
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
SMS_ID
100000164346
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
CAS
202650-88-2
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
NSC
407296
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
RXCUI
1311387
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY RxNorm
CAS
327-97-9
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
DRUG BANK
DB12029
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
FDA UNII
318ADP12RI
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
NCI_THESAURUS
C116073
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY NCIT
NSC
70861
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
EVMPD
SUB178745
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1115545
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
EVMPD
SUB114543
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
ALTERNATIVE
WIKIPEDIA
CHLOROGENIC ACID
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
CHEBI
16112
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-325-6
Created by admin on Fri Dec 15 22:07:22 UTC 2023 , Edited by admin on Fri Dec 15 22:07:22 UTC 2023
PRIMARY
NIH
NCATS
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