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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H11NO7
Molecular Weight 269.208
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROXYBENZOYL-L-ASPARTIC ACID

SMILES

c1cc(c(cc1C(=N[C@@]([H])(CC(=O)O)C(=O)O)O)O)O

InChI

InChIKey=YHPHJCJWSHTADP-LURJTMIESA-N
InChI=1S/C11H11NO7/c13-7-2-1-5(3-8(7)14)10(17)12-6(11(18)19)4-9(15)16/h1-3,6,13-14H,4H2,(H,12,17)(H,15,16)(H,18,19)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H11NO7
Molecular Weight 269.208
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:31:42 UTC 2021
Edited
by admin
on Fri Jun 25 23:31:42 UTC 2021
Record UNII
X79OK4ZSBR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDROXYBENZOYL-L-ASPARTIC ACID
Systematic Name English
L-ASPARTIC ACID, N-(3,4-DIHYDROXYBENZOYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91617980
Created by admin on Fri Jun 25 23:31:42 UTC 2021 , Edited by admin on Fri Jun 25 23:31:42 UTC 2021
PRIMARY
FDA UNII
X79OK4ZSBR
Created by admin on Fri Jun 25 23:31:42 UTC 2021 , Edited by admin on Fri Jun 25 23:31:42 UTC 2021
PRIMARY
CAS
1357599-86-0
Created by admin on Fri Jun 25 23:31:42 UTC 2021 , Edited by admin on Fri Jun 25 23:31:42 UTC 2021
PRIMARY
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