KEGG   COMPOUND: C08679Help
Entry
C08679                      Compound                               

Name
Deltaline;
Aconitane-6,10-diol, 20-ethyl-4-methyl-7,8-(methylenebis(oxy))-, 1,14,16-trimethoxy-, 6-acetate, (1-alpha,6-beta,14-alpha,16-beta)-
Formula
C27H41NO8
Exact mass
507.2832
Mol weight
507.6163
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08679  Deltaline
BRITE hierarchy
Other DBs
CAS: 6836-11-9
PubChem: 10872
ChEBI: 4387
ChEMBL: CHEMBL480500
KNApSAcK: C00001635
3DMET: B02325
NIKKAJI: J245.955H
KCF data Show

ATOM        36
            1   C1z C    25.6040  -17.4244
            2   C1y C    25.5864  -16.1486
            3   C1z C    26.4544  -16.6904
            4   C1y C    25.6040  -18.6944
            5   C1y C    24.5145  -16.7836
            6   C1z C    27.7477  -19.1605
            7   N1y N    24.0426  -18.1352
            8   C1y C    27.8294  -16.9526
            9   C1x C    26.3437  -15.4961
            10  O1a O    27.2758  -15.9156
            11  C1y C    26.5534  -19.4517
            12  C1z C    24.5145  -19.3237
            13  C1x C    23.4018  -17.4244
            14  O2a O    24.5145  -15.5194
            15  C1z C    28.2604  -18.0069
            16  O2x O    28.6799  -20.0052
            17  C1x C    23.9902  -20.4247
            18  C1b C    22.9416  -17.5118
            19  C1y C    28.7911  -15.8515
            20  C1y C    27.7247  -14.6043
            21  O7a O    26.2914  -20.6402
            22  C1x C    23.4018  -18.6944
            23  C1a C    25.1150  -20.8211
            24  C1a C    23.4077  -14.8786
            25  C1x C    30.3000  -16.8995
            26  O2x O    29.5187  -18.1411
            27  C1x C    29.7750  -19.3760
            28  C1a C    21.8464  -18.1352
            29  O2a O    30.9524  -14.6396
            30  C1y C    29.1347  -14.5985
            31  C7a C    27.3985  -21.4557
            32  C1a C    31.5110  -15.4438
            33  O2a O    29.8863  -13.2173
            34  C1a C    27.3463  -22.9942
            35  O6a O    28.4878  -21.0888
            36  C1a C    29.2512  -12.0523
BOND        42
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     6   2 1 #Down
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    6  16 1
            16    7  17 1
            17    7  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1 #Up
            21   12  22 1
            22   12  23 1 #Up
            23   14  24 1
            24   15  25 1
            25   15  26 1 #Up
            26   16  27 1
            27   18  28 1
            28   19  29 1 #Down
            29   20  30 1
            30   21  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   33  36 1
            36    6  11 1
            37    8  15 1
            38   12  17 1 #Down
            39   13  22 1
            40   19  20 1
            41   25  30 1
            42   26  27 1

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