KEGG   COMPOUND: C20605Help
Entry
C20605                      Compound                               

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

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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