KEGG   COMPOUND: C20636Help
Entry
C20636                      Compound                               

Name
Deoxybrevianamide E
Formula
C21H25N3O2
Exact mass
351.1947
Mol weight
351.4421
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 34610-68-9
PubChem: 172232360
KCF data Show

ATOM        26
            1   C1y C    21.9100  -16.1000
            2   N1x N    21.9100  -17.5000
            3   C5x C    23.1700  -18.2000
            4   C1y C    24.3600  -17.5000
            5   N1y N    24.3600  -16.1000
            6   C5x C    23.1700  -15.4000
            7   C1x C    25.6900  -17.9200
            8   C1x C    26.5300  -16.8000
            9   C1x C    25.6900  -15.6800
            10  C1b C    20.7200  -15.4000
            11  C8y C    19.5300  -16.1000
            12  C8y C    18.2700  -15.5400
            13  C8y C    17.3600  -16.5200
            14  N4x N    18.0600  -17.7100
            15  C8y C    19.3900  -17.4300
            16  C8x C    17.8500  -14.2100
            17  C8x C    16.4500  -13.8600
            18  C8x C    15.5400  -14.9100
            19  C8x C    15.9600  -16.2400
            20  O5x O    23.1700  -14.0000
            21  O5x O    23.1700  -19.6000
            22  C1d C    19.7523  -18.7823
            23  C2b C    18.7624  -19.7722
            24  C1a C    20.1146  -20.1346
            25  C1a C    21.1046  -19.1446
            26  C2a C    18.7624  -21.1722
BOND        29
            1     1   2 1
            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    5   9 1
            11    1  10 1 #Up
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 2
            18   12  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   13  19 2
            23    6  20 2
            24    3  21 2
            25   15  22 1
            26   22  23 1
            27   22  24 1
            28   22  25 1
            29   23  26 2

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