Marvin  06111311122D          

 18 19  0  0  0  0            999 V2000
    2.8294   -1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1149   -1.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439   -2.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439   -1.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294   -2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1149   -2.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285   -1.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133   -1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3904   -3.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285   -2.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5833   -3.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522   -4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452   -4.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7072   -5.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -2.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6861   -2.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -1.1736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  2  6  2  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  2  0  0  0  0
 13  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
> <ID>
CHEBI:2198

> <NAME>
6-hydroxymelatonin

> <DEFINITION>
A member of the class of  tryptamines  that is melatonin with a hydroxy group substituent at position 6.

> <STAR>
3

> <SYNONYM>
Lopac-H-0627

> <IUPAC_NAME>
N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide

> <FORMULA>
C13H16N2O3

> <MASS>
248.27770

> <MONOISOTOPIC_MASS>
248.11609

> <CHARGE>
0

> <SMILES>
COc1cc2c(CCNC(C)=O)c[nH]c2cc1O

> <INCHI>
InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)

> <INCHIKEY>
OMYMRCXOJJZYKE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2208-41-5

> <REAXYS_REGISTRY_NUMBER>
483231

> <CHEMIDPLUS>
2208-41-5

> <KEGG_COMPOUND_ACCESSION>
C05643

> <PUBMED_CITATION>
15356035; 16300638; 22430231; 2646423; 3964785; 7263843

$$$$