KEGG   COMPOUND: C11682
Entry
C11682                      Compound                               

Name
Tetrahydroalstonine
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11682  Tetrahydroalstonine
Other DBs
CAS: 6474-90-4
PubChem: 13847
ChEBI: 9479
ChEMBL: CHEMBL498734
KNApSAcK: C00025214
3DMET: B04310
NIKKAJI: J109.490D
KCF data

ATOM        26
            1   C8x C    20.7984  -18.0402
            2   C8x C    21.3771  -19.3048
            3   C8x C    22.7652  -19.4385
            4   C8x C    21.6045  -16.9023
            5   C8y C    22.9989  -17.0331
            6   C8y C    23.5777  -18.2978
            7   C1x C    25.1944  -13.9699
            8   C1x C    23.9933  -14.6767
            9   N1y N    26.4123  -14.6444
            10  C1y C    26.4225  -16.0413
            11  C1x C    27.6364  -16.7279
            12  C1x C    27.6162  -13.9339
            13  C1y C    28.8303  -14.6206
            14  C1y C    28.8376  -16.0114
            15  C2y C    30.0448  -16.6972
            16  C2x C    31.2478  -15.9986
            17  O2x O    31.2373  -14.6014
            18  C1y C    30.0301  -13.9156
            19  C1a C    30.0668  -12.4502
            20  C7a C    30.0425  -18.1607
            21  C8y C    25.2271  -16.7611
            22  C8y C    24.0129  -16.0900
            23  N4x N    24.9651  -18.1234
            24  O7a O    31.1838  -18.9690
            25  C1a C    31.1375  -20.3617
            26  O6a O    28.7610  -18.7467
BOND        30
            1     1   2 1
            2    21  10 1
            3     9   7 1
            4     7   8 1
            5    13  14 1
            6    14  15 1
            7    15  16 2
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11    8  22 1
            12   18  19 1 #Down
            13    2   3 2
            14   15  20 1
            15    3   6 1
            16    5   4 1
            17    4   1 2
            18   21  22 2
            19   22   5 1
            20    6  23 1
            21   23  21 1
            22    9  10 1
            23   20  24 1
            24   10  11 1
            25   24  25 1
            26   11  14 1
            27   20  26 2
            28   13  12 1
            29   12   9 1
            30    5   6 2

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