KEGG   COMPOUND: C16790
Entry
C16790                      Compound                               
Name
Coronatine
Formula
C18H25NO4
Exact mass
319.1784
Mol weight
319.3954
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK14 Non-ribosomal peptide/polyketide hybrids
   C16790  Coronatine
Other DBs
CAS: 62251-96-1
PubChem: 96023314
ChEBI: 80730
KNApSAcK: C00000367
NIKKAJI: J57.969F
LinkDB
KCF data

ATOM        23
            1   C1x C    22.8372  -20.2179
            2   C1z C    23.9963  -19.4243
            3   C1y C    22.7314  -18.8264
            4   C1y C    25.4759  -15.2571
            5   C2x C    25.4759  -16.6568
            6   C2y C    26.7357  -17.3567
            7   C1y C    27.9255  -16.6568
            8   C1y C    27.9255  -15.2571
            9   C1x C    26.7357  -14.5572
            10  C1x C    29.2553  -17.0767
            11  C1x C    30.0951  -15.9569
            12  C5x C    29.2553  -14.8371
            13  O5x O    29.6752  -13.5074
            14  C5a C    26.7357  -18.7564
            15  N1b N    25.4759  -19.4563
            16  O5a O    27.9255  -19.4563
            17  C1b C    24.2862  -14.5572
            18  C1a C    23.0964  -15.2571
            19  C6a C    24.3112  -18.0903
            20  O6a O    23.3215  -17.1005
            21  O6a O    25.6427  -17.7115
            22  C1b C    21.9431  -17.6802
            23  C1a C    20.5792  -17.7887
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   1 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14   12  13 2
            15    6  14 1
            16   14  15 1
            17   14  16 2
            18    4  17 1 #Down
            19   17  18 1
            20    2  15 1 #Up
            21    2  19 1 #Down
            22   19  20 1
            23   19  21 2
            24    3  22 1 #Down
            25   22  23 1

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