KEGG   COMPOUND: C08687Help
Entry
C08687                      Compound                               

Name
Hetisine;
Hetisan-2,11,13-triol
Formula
C20H27NO3
Exact mass
329.1991
Mol weight
329.4333
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08687  Hetisine
BRITE hierarchy
Other DBs
CAS: 10089-23-3
PubChem: 10880
ChEBI: 5690
ChEMBL: CHEMBL2375182
KNApSAcK: C00001643 C00024908 C00028344
3DMET: B05276
NIKKAJI: J679.801B
KCF data Show

ATOM        24
            1   C1z C    26.1440  -17.4186
            2   C1y C    26.2023  -16.3028
            3   C1y C    27.2481  -16.7877
            4   C1y C    26.1440  -18.8322
            5   C1x C    25.0340  -16.7819
            6   C1y C    27.6921  -16.3145
            7   N1y N    24.8998  -17.7162
            8   C1z C    28.3522  -17.4362
            9   C1y C    27.2598  -15.5025
            10  C1y C    27.2364  -19.3405
            11  C1z C    25.0340  -19.3348
            12  C1y C    23.9300  -17.4186
            13  C1y C    28.9305  -15.9699
            14  C1x C    23.7912  -20.5615
            15  C1x C    28.3522  -18.7039
            16  C1x C    29.4564  -16.7993
            17  C1y C    28.3755  -14.8774
            18  O1a O    26.0098  -14.7257
            19  C1x C    23.9300  -18.6922
            20  C1a C    25.9854  -21.0515
            21  O1a O    22.8259  -16.7819
            22  O1a O    30.7174  -16.3028
            23  C2y C    29.4681  -15.5199
            24  C2a C    30.7762  -14.8833
BOND        30
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16    9  17 1
            17    9  18 1 #Down
            18   11  19 1
            19   11  20 1 #Up
            20   12  21 1 #Down
            21   13  22 1 #Down
            22   16  23 1
            23   23  24 2
            24    8   6 1 #Down
            25    7  10 1
            26   10  15 1
            27   11  14 1 #Down
            28   12  19 1
            29   13  17 1
            30   17  23 1 #Up

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