KEGG   COMPOUND: C12058Help
Entry
C12058                      Compound                               

Name
Cerulenin
Formula
C12H17NO3
Exact mass
223.1208
Mol weight
223.2683
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
17397-89-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C5a C    34.1629  -19.7719
            2   O5a O    34.1599  -21.1764
            3   N1a N    35.3698  -19.0803
            4   C1a C    20.6261  -19.7366
            5   C2b C    21.8399  -19.0449
            6   C2b C    23.0539  -19.7436
            7   C1b C    24.2608  -19.0520
            8   C2b C    25.4748  -19.7507
            9   C2b C    26.6887  -19.0591
            10  C1b C    27.9027  -19.7578
            11  C1b C    29.1167  -19.0660
            12  C5a C    30.3305  -19.7648
            13  O5a O    30.3275  -21.1693
            14  C1y C    32.9491  -19.0731
            15  C1y C    31.5445  -19.0731
            16  O2x O    32.2510  -17.8549
BOND        16
            1     4   5 1
            2     9  10 1
            3     1   2 2
            4    10  11 1
            5     5   6 2
            6    11  12 1
            7    15  12 1 #Up
            8    14   1 1 #Up
            9    12  13 2
            10    6   7 1
            11    1   3 1
            12    7   8 1
            13   14  15 1
            14   14  16 1
            15   16  15 1
            16    8   9 2

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