KEGG   COMPOUND: C20604Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00786  Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
Other DBs
PubChem: 172232332
ChEMBL: CHEMBL410316
LinkDB All DBs
KCF data Show

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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