Mrv0541 06131416382D          

 15 16  0  0  0  0            999 V2000
    9.9115  -28.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1970  -27.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260  -27.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260  -27.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1970  -27.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4106  -26.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8954  -27.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4106  -28.1267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4724  -25.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7273  -25.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5343  -24.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6654  -26.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1753  -24.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115  -26.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115  -25.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  3 14  1  0  0  0  0
 14  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
 12  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:8613

> <NAME>
psilocin

> <DEFINITION>
A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanácatl or "magic mushrooms").

> <STAR>
3

> <SYNONYM>
Psilotsin; Psilocine; Psilocin; N,N-dimethyl-4-hydroxytryptamine; 4-OH-DMT; 4-hydroxy-N,N-dimethyltryptamine; 3-(2-(Dimethylamino)ethyl)indol-4-ol

> <IUPAC_NAME>
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol

> <FORMULA>
C12H16N2O

> <MASS>
204.26820

> <MONOISOTOPIC_MASS>
204.12626

> <CHARGE>
0

> <SMILES>
CN(C)CCc1c[nH]c2cccc(O)c12

> <INCHI>
InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3

> <INCHIKEY>
SPCIYGNTAMCTRO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
160503

> <CAS_REGISTRY_NUMBER>
520-53-6

> <REAXYS_REGISTRY_NUMBER>
160503

> <CHEMIDPLUS>
520-53-6

> <KEGG_COMPOUND_ACCESSION>
C08312

> <KNAPSACK_ACCESSION>
C00001427

> <NIST_CHEMISTRY_WEBBOOK>
520-53-6

> <WIKIPEDIA_ACCESSION>
Psilocin

> <PUBMED_CITATION>
21148021; 21820980; 22138681; 23183899; 23851905; 23878898; 24413570; 24513688; 24904332; 25342005; 25540060; 25826052; 26192543; 26400885; 26461483; 27021629; 27216487; 28057187; 28074670; 28353056; 4040953; 7194879

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