KEGG   COMPOUND: C09170Help
Entry
C09170                      Compound                               

Name
Eseramine;
(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide
Formula
C16H22N4O3
Exact mass
318.1692
Mol weight
318.3709
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Pyrroloindole alkaloids
    C09170  Eseramine
BRITE hierarchy
Other DBs
CAS: 6091-57-2
PubChem: 11362
ChEBI: 4854
ChEMBL: CHEMBL77799
KNApSAcK: C00001725
3DMET: B02738
NIKKAJI: J12.769H
KCF data Show

ATOM        23
            1   C8y C    24.3661  -17.0049
            2   C8x C    24.3661  -18.4048
            3   C8x C    25.5814  -19.1048
            4   C8x C    25.5814  -16.3049
            5   C8y C    26.7896  -17.0049
            6   C8y C    26.7911  -18.4058
            7   N1y N    28.1240  -18.8374
            8   C1z C    28.1215  -16.5705
            9   C1y C    28.9525  -17.7062
            10  N1y N    30.2896  -17.2667
            11  C1x C    30.2847  -15.8595
            12  C1x C    28.9448  -15.4292
            13  O7a O    23.1571  -16.3049
            14  C7a C    21.9480  -16.9978
            15  C5a C    31.4931  -17.9665
            16  N1b N    20.7390  -16.2978
            17  C1a C    19.5299  -16.9908
            18  O6a O    22.0109  -18.3977
            19  C1a C    28.4811  -20.1866
            20  N1b N    32.7021  -17.2735
            21  C1a C    33.9111  -17.9735
            22  O5a O    31.4859  -19.3665
            23  C1a C    27.4134  -15.3504
BOND        25
            1    10  11 1
            2    11  12 1
            3    12   8 1
            4     2   3 2
            5     1  13 1
            6     5   6 2
            7    13  14 1
            8     6   7 1
            9    10  15 1
            10    7   9 1
            11   14  16 1
            12    8   5 1
            13   16  17 1
            14    3   6 1
            15   14  18 2
            16    5   4 1
            17    7  19 1
            18    4   1 2
            19   15  20 1
            20   20  21 1
            21    1   2 1
            22   15  22 2
            23    8   9 1
            24    8  23 1 #Up
            25    9  10 1

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