KEGG   COMPOUND: C06536Help
Entry
C06536                      Compound                               

Name
Harmaline
Formula
C13H14N2O
Exact mass
214.1106
Mol weight
214.2631
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Enzyme
1.3.-.-         1.5.-.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C06536  Harmaline
Target-based classification of compounds [BR:br08010]
 Enzymes
  Oxidoreductases
   monoamine oxidase A (MAO-A)
    C06536  Harmaline
BRITE hierarchy
Other DBs
CAS: 304-21-2
PubChem: 8766
ChEBI: 28172
ChEMBL: CHEMBL340807
KNApSAcK: C00001735
3DMET: B02059
NIKKAJI: J11.607F
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    27.1822  -16.3787
            2   C8y C    25.8573  -15.9508
            3   C8y C    28.0146  -15.2531
            4   C1x C    27.7449  -17.6627
            5   C8y C    25.8630  -14.5495
            6   C8x C    24.6554  -16.6543
            7   N4x N    27.1939  -14.1274
            8   C2y C    29.4041  -15.4113
            9   C1x C    29.1343  -17.8150
            10  C8x C    24.6554  -13.8460
            11  C8x C    23.4359  -15.9508
            12  N2x N    29.9669  -16.6894
            13  C1a C    30.2365  -14.2799
            14  C8y C    23.4359  -14.5495
            15  O2a O    22.2223  -13.8460
            16  C1a C    21.0030  -14.5495
BOND        18
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    8  12 2
            12    8  13 1
            13   10  14 1
            14   14  15 1
            15   15  16 1
            16    5   7 1
            17    9  12 1
            18   11  14 2

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