KEGG   COMPOUND: C20604
Entry
C20604                      Compound                               

Name
Fumitremorgin C;
(5aS,12S,14aS)-9-Methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
Formula
C22H25N3O3
Exact mass
379.1896
Mol weight
379.4522
Structure
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00786  Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
Other DBs
PubChem: 172232332
ChEMBL: CHEMBL410316
KCF data

ATOM        28
            1   C8y C    18.1975  -14.4200
            2   C8y C    18.1975  -15.8202
            3   C1y C    19.4101  -16.5202
            4   N1y N    20.6227  -15.8202
            5   C1y C    20.6227  -14.4200
            6   C1x C    19.4101  -13.7200
            7   C5x C    21.8351  -16.5202
            8   C1y C    23.0477  -15.8202
            9   N1y N    23.0477  -14.4200
            10  C5x C    21.8351  -13.7200
            11  C1x C    24.3793  -16.2528
            12  C1x C    25.2023  -15.1201
            13  C1x C    24.3793  -13.9874
            14  C8y C    16.8659  -13.9874
            15  C8y C    16.0429  -15.1201
            16  N4x N    16.8659  -16.2528
            17  C8x C    16.2965  -12.7082
            18  C8x C    14.9040  -12.5620
            19  C8y C    14.0809  -13.6947
            20  C8x C    14.6505  -14.9737
            21  C2b C    19.4101  -17.9203
            22  O5x O    21.8351  -17.9203
            23  O5x O    21.8351  -12.3198
            24  C2c C    20.3995  -18.9097
            25  C1a C    21.7987  -18.9097
            26  C1a C    20.3995  -20.3090
            27  O2a O    12.7293  -13.3326
            28  C1a C    12.0297  -12.1207
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16    1  14 1
            17   14  15 1
            18   15  16 1
            19    2  16 1
            20   14  17 2
            21   17  18 1
            22   18  19 2
            23   19  20 1
            24   15  20 2
            25    3  21 1
            26   10  23 2
            27    7  22 2
            28   21  24 2
            29   24  25 1
            30   24  26 1
            31   19  27 1
            32   27  28 1

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