Marvin  11121210142D          

 16 17  0  0  1  0            999 V2000
   11.1914   -6.1752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1914   -5.3502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4771   -4.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -6.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779   -6.4301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929   -5.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779   -5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6423   -4.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6724   -5.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3369   -4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9059   -4.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9059   -4.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204   -5.3502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8219   -4.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1272   -3.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  1  0  0  0
  3 13  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
> <ID>
CHEBI:40072

> <NAME>
4-hydroxy-L-tryptophan

> <DEFINITION>
An optically active form of 4-hydroxytryptophan having L-configuration.

> <STAR>
3

> <IUPAC_NAME>
4-hydroxy-L-tryptophan

> <FORMULA>
C11H12N2O3

> <MASS>
220.22460

> <MONOISOTOPIC_MASS>
220.08479

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1c[nH]c2cccc(O)c12)C(O)=O

> <INCHI>
InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1

> <INCHIKEY>
QSHLMQDRPXXYEE-ZETCQYMHSA-N

> <REAXYS_REGISTRY_NUMBER>
3614911

> <PDBECHEM_ACCESSION>
4HT

$$$$