Marvin  09260616182D          

 15 16  0  0  0  0            999 V2000
   -3.2813   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9957   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9957   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2813   -1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5668   -1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5668   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -1.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5686    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    0.6778    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1884    0.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7718    2.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657    1.3923    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  7  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  1  15  -1
M  END
> <ID>
CHEBI:17282

> <NAME>
3-(indol-3-yl)lactate

> <DEFINITION>
A 2-hydroxy carboxylate that is the conjugate base of 3-(indol-3-yl)lactic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24812; CHEBI:5916; CHEBI:14453

> <SYNONYM>
Indolelactate; indole-3-lactate; indole lactate; 3-(indol-3-yl)lactate

> <IUPAC_NAME>
2-hydroxy-3-(1H-indol-3-yl)propanoate

> <FORMULA>
C11H10NO3

> <MASS>
204.20204

> <MONOISOTOPIC_MASS>
204.06662

> <CHARGE>
-1

> <SMILES>
OC(Cc1c[nH]c2ccccc12)C([O-])=O

> <INCHI>
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/p-1

> <INCHIKEY>
XGILAAMKEQUXLS-UHFFFAOYSA-M

> <KEGG_COMPOUND_ACCESSION>
C02043

$$$$