KEGG   COMPOUND: C11682Help
Entry
C11682                      Compound                               

Name
Tetrahydroalstonine
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 6474-90-4
PubChem: 13847
ChEBI: 9479
ChEMBL: CHEMBL498734
KNApSAcK: C00025214
3DMET: B04310
NIKKAJI: J109.490D
KCF data Show

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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