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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

Molecular Formula C13H13NO7
Molecular Weight 295.2448
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9629A6NZ0S
Record Status Validated (UNII)
Record Version