KEGG   COMPOUND: C08309
Entry
C08309                      Compound                               
Name
N,N-Dimethyl-5-methoxytryptamine;
O-Methylbufotenine;
Methoxybufotenin;
5-Methoxy-N,N-dimethyltryptamine;
3-[2-(N,N-Dimethylamino)ethyl]-5-methoxy-indole
Formula
C13H18N2O
Exact mass
218.1419
Mol weight
218.29
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C08309  N,N-Dimethyl-5-methoxytryptamine
Other DBs
CAS: 1019-45-0
PubChem: 10507
ChEBI: 2086
KNApSAcK: C00001420
PDB-CCD: YFW[PDBj]
NIKKAJI: J21.248B
LinkDB
KCF data

ATOM        16
            1   C8y C    13.3965  -33.6395
            2   C8x C    13.3965  -35.0482
            3   C8x C    14.5939  -35.7525
            4   C8y C    15.8617  -35.0482
            5   C8y C    15.8617  -33.6395
            6   C8x C    14.5939  -32.9352
            7   N4x N    17.1999  -35.4708
            8   C8x C    17.9043  -34.4143
            9   C8y C    17.1999  -33.2169
            10  C1b C    19.1721  -31.7378
            11  C1b C    17.7634  -31.8787
            12  O2a O    12.1992  -32.9352
            13  C1a C    10.9314  -33.5691
            14  N1c N    19.8059  -30.4701
            15  C1a C    19.0312  -29.2727
            16  C1a C    21.2146  -30.4701
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11   10  11 1
            12    9  11 1
            13    1  12 1
            14   12  13 1
            15   10  14 1
            16   14  15 1
            17   14  16 1

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