KEGG   COMPOUND: C22622
Entry
C22622                      Compound                               
Name
Dehydrocyclopeptine;
(Z)-Dehydrocyclopeptine
Formula
C17H14N2O2
Exact mass
278.1055
Mol weight
278.30
Structure
Reaction
R13110 R13111
Enzyme
1.14.11.81
Other DBs
CAS: 31965-37-4
PubChem: 497619981
PDB-CCD: CO0[PDBj]
LinkDB
KCF data

ATOM        21
            1   C8x C    11.2976  -29.2811
            2   C8x C    11.2976  -30.6768
            3   C8x C    12.4839  -31.3746
            4   C8y C    13.7400  -30.6768
            5   C8y C    13.7400  -29.2811
            6   C8x C    12.4839  -28.5832
            7   C5x C    14.8566  -28.3739
            8   N1y N    16.1825  -28.7228
            9   C2y C    16.8105  -29.9789
            10  C5x C    16.1825  -31.2351
            11  N1x N    14.8566  -31.5142
            12  O5x O    14.5076  -27.0480
            13  C1a C    16.9501  -27.5365
            14  O5x O    16.8803  -32.4214
            15  C2b C    18.2762  -29.9787
            16  C8y C    18.9741  -28.7226
            17  C8x C    20.3698  -28.7226
            18  C8x C    21.0676  -27.5363
            19  C8x C    20.3698  -26.2801
            20  C8x C    18.9741  -26.2801
            21  C8x C    18.2762  -27.5363
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     8   9 1
            8     9  10 1
            9     7   8 1
            10    4  11 1
            11    5   7 1
            12   10  11 1
            13    7  12 2
            14    8  13 1
            15   10  14 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23    9  15 2

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