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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13NO7
Molecular Weight 295.2448
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-CAFFEOYL-L-ASPARTIC ACID

SMILES

OC(=O)C[C@H](NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O

InChI

InChIKey=YNHFZQQNJPOYRC-KHVHVRLGSA-N
InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+/t8-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-CAFFEOYL-L-ASPARTIC ACID
Common Name English
N-(E)-CAFFEOYL-L-ASPARTIC ACID
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
860295-20-1
Created by admin on Sat Dec 16 10:59:02 GMT 2023 , Edited by admin on Sat Dec 16 10:59:02 GMT 2023
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PUBCHEM
23658567
Created by admin on Sat Dec 16 10:59:02 GMT 2023 , Edited by admin on Sat Dec 16 10:59:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID801158585
Created by admin on Sat Dec 16 10:59:02 GMT 2023 , Edited by admin on Sat Dec 16 10:59:02 GMT 2023
PRIMARY
FDA UNII
9629A6NZ0S
Created by admin on Sat Dec 16 10:59:02 GMT 2023 , Edited by admin on Sat Dec 16 10:59:02 GMT 2023
PRIMARY