KEGG   COMPOUND: C07545
Entry
C07545                      Compound                               
Name
alpha-Ergocryptine
Formula
C32H41N5O5
Exact mass
575.3108
Mol weight
575.6984
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C07545  alpha-Ergocryptine
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Ergot alkaloids
    C07545  alpha-Ergocryptine
Other DBs
CAS: 511-09-1
PubChem: 9748
ChEBI: 10276
KNApSAcK: C00001721
3DMET: B05248
NIKKAJI: J14.251D
LinkDB
KCF data

ATOM        42
            1   C1z C    21.9089  -14.1229
            2   N1y N    21.9089  -15.4448
            3   C1y C    23.0220  -13.4967
            4   O2x O    20.7957  -13.4967
            5   C1y C    23.0220  -16.0711
            6   C5x C    19.6129  -15.4448
            7   N1y N    24.1353  -14.1229
            8   C1x C    23.0220  -12.1748
            9   C1z C    19.6129  -14.1229
            10  C5x C    24.1353  -15.3753
            11  O5x O    18.7779  -16.2797
            12  C1x C    25.2485  -13.4967
            13  C1x C    25.2485  -12.1748
            14  N1b N    17.8737  -13.4271
            15  O5x O    25.2485  -16.0711
            16  C5a C    16.4127  -14.1229
            17  C1y C    16.4127  -15.4448
            18  O5a O    15.2299  -13.4967
            19  C2x C    15.2299  -16.0711
            20  C1x C    17.4562  -16.0711
            21  C2y C    15.2299  -17.3234
            22  N1y N    17.4562  -17.3234
            23  C8y C    14.1166  -17.9496
            24  C1y C    16.4127  -18.0192
            25  C1a C    18.6391  -18.0192
            26  C8y C    14.1166  -19.2715
            27  C8x C    13.0731  -17.3234
            28  C1x C    16.4127  -19.2715
            29  C8y C    15.2299  -19.8977
            30  C8y C    13.0731  -19.8977
            31  C8x C    11.9597  -17.9496
            32  C8x C    15.2299  -21.1500
            33  N4x N    13.0731  -21.1500
            34  C8x C    11.9597  -19.2715
            35  C1b C    23.0220  -17.3930
            36  C1c C    21.8394  -18.0192
            37  C1a C    21.8394  -19.4107
            38  O1a O    21.7699  -12.7268
            39  C1c C    19.6129  -11.8964
            40  C1a C    20.8652  -11.2006
            41  C1a C    18.2912  -11.2006
            42  C1a C    20.6253  -17.2885
BOND        48
            1     4   9 1
            2     5  10 1
            3     6  11 2
            4     7  12 1
            5     8  13 1
            6     9  14 1 #Down
            7    10  15 2
            8    14  16 1
            9    17  16 1 #Up
            10   16  18 2
            11   17  19 1
            12   17  20 1
            13   19  21 2
            14   20  22 1
            15   21  23 1
            16   21  24 1
            17   22  25 1
            18   23  26 1
            19   23  27 2
            20   24  28 1
            21   26  29 1
            22   26  30 2
            23   27  31 1
            24   29  32 2
            25   30  33 1
            26   30  34 1
            27    6   9 1
            28    7  10 1
            29   12  13 1
            30   22  24 1
            31   28  29 1
            32   31  34 2
            33   32  33 1
            34    1   2 1
            35    1   3 1
            36    1   4 1
            37    2   5 1
            38    2   6 1
            39    3   7 1
            40    3   8 1
            41   35  36 1
            42   36  37 1
            43    5  35 1 #Down
            44    1  38 1 #Down
            45   39  40 1
            46   39  41 1
            47    9  39 1 #Up
            48   36  42 1

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