KEGG   COMPOUND: C20605
Entry
C20605                      Compound                               

Name
12alpha,13alpha-Dihydroxyfumitremorgin C;
12,13-Dihydroxyfumitremorgin C
Formula
C22H25N3O5
Exact mass
411.1794
Mol weight
411.451
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: 172232333
ChEMBL: CHEMBL3884139
KCF data

ATOM        30
            1   C8y C    18.2164  -14.4253
            2   C8y C    18.2164  -15.8269
            3   C1y C    19.4077  -16.5277
            4   N1y N    20.6692  -15.8269
            5   C1z C    20.6692  -14.4253
            6   C1y C    19.4077  -13.7245
            7   C5x C    21.8605  -16.5277
            8   C1y C    23.0519  -15.8269
            9   N1y N    23.0519  -14.4253
            10  C5x C    21.8605  -13.7245
            11  C1x C    24.3835  -16.2474
            12  C1x C    25.2244  -15.1261
            13  C1x C    24.3835  -14.0048
            14  C8y C    16.8848  -14.0048
            15  C8y C    16.0439  -15.1261
            16  N4x N    16.8848  -16.2474
            17  C8x C    16.3242  -12.7434
            18  C8x C    14.9226  -12.5331
            19  C8y C    14.0816  -13.7245
            20  C8x C    14.6422  -14.9860
            21  C2b C    19.4077  -17.9293
            22  O5x O    21.8605  -17.9293
            23  O5x O    21.8605  -12.3229
            24  O1a O    20.6692  -13.0237
            25  C2c C    20.3889  -18.9105
            26  C1a C    21.7905  -18.9105
            27  C1a C    20.3889  -20.3121
            28  O2a O    12.7501  -13.3040
            29  C1a C    12.0493  -12.1127
            30  O1a O    19.3905  -12.3230
BOND        34
            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   21   3 1
            26   10  23 2
            27    7  22 2
            28    5  24 1 #Down
            29   21  25 2
            30   25  26 1
            31   25  27 1
            32   19  28 1
            33   28  29 1
            34    6  30 1 #Down

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