KEGG   COMPOUND: C08677Help
Entry
C08677                      Compound                               

Name
Delphinine
Formula
C33H45NO9
Exact mass
599.3094
Mol weight
599.7117
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08677  Delphinine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Others
    C08677  Delphinine
BRITE hierarchy
Other DBs
CAS: 561-07-9
PubChem: 10870
ChEBI: 4384
KNApSAcK: C00001633
3DMET: B02323
NIKKAJI: J10.351I
LinkDB All DBs
KCF data Show

ATOM        43
            1   C1z C    23.4573  -17.5931
            2   C1y C    23.4573  -18.8931
            3   C1y C    24.3900  -16.8471
            4   C1y C    23.4399  -16.2990
            5   C1y C    22.3440  -16.9462
            6   C1y C    24.4309  -19.6684
            7   C1z C    22.3440  -19.5402
            8   C1y C    25.5850  -17.1152
            9   C1x C    24.2793  -15.6288
            10  C1y C    25.6493  -19.3712
            11  N1y N    21.8659  -18.3276
            12  C1x C    21.2130  -17.5931
            13  O2a O    22.3440  -15.6521
            14  O2a O    24.1569  -20.9334
            15  C1x C    21.8076  -20.6594
            16  C1x C    21.2130  -18.8931
            17  C1b C    22.8452  -20.6594
            18  C1z C    26.1738  -18.1936
            19  C1y C    26.2146  -16.0659
            20  C1z C    25.4102  -15.1449
            21  C1a C    20.1868  -17.7507
            22  C1a C    21.2189  -14.9990
            23  C1a C    25.5388  -21.9477
            24  O2a O    22.8336  -21.9594
            25  C1x C    27.6836  -17.4883
            26  O7a O    27.2872  -18.8348
            27  O7a O    28.4181  -14.9700
            28  C1y C    26.6343  -15.1390
            29  O1a O    25.2583  -13.6640
            30  C1a C    21.5509  -22.5248
            31  C7a C    27.2872  -20.1289
            32  C7a C    29.4848  -15.5762
            33  O2a O    27.3979  -14.0956
            34  C1a C    28.4122  -20.7818
            35  O6a O    26.1622  -20.7760
            36  C8y C    30.5341  -14.9700
            37  O6a O    29.4848  -16.7945
            38  C1a C    26.8967  -12.5564
            39  C8x C    31.5834  -15.5762
            40  C8x C    30.5341  -13.7516
            41  C8x C    32.6444  -14.9700
            42  C8x C    31.5834  -13.1395
            43  C8x C    32.6385  -13.7516
BOND        49
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9    10   4 1 #Down
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    7  15 1 #Down
            15    7  16 1
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   11  21 1
            21   13  22 1
            22   14  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   19  27 1 #Down
            27   20  28 1
            28   20  29 1 #Up
            29   24  30 1
            30   26  31 1
            31   27  32 1
            32   28  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   36  39 2
            39   36  40 1
            40   39  41 1
            41   40  42 2
            42   41  43 2
            43    6  10 1
            44   10  18 1
            45   11  15 1
            46   12  16 1
            47   19  20 1
            48   25  28 1
            49   42  43 1

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