KEGG   COMPOUND: C09886Help
Entry
C09886                      Compound                               

Name
Magellanine
Formula
C17H25NO2
Exact mass
275.1885
Mol weight
275.3859
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 61273-75-4
PubChem: 12072
ChEBI: 6634
KNApSAcK: C00001949
3DMET: B03349
NIKKAJI: J18.335K
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1z C    27.5800  -18.2241
            2   C1y C    28.7293  -19.0532
            3   C1y C    28.0176  -16.8795
            4   C1x C    26.4422  -19.0618
            5   C5x C    26.2051  -18.5086
            6   C1y C    28.2902  -20.3996
            7   C1y C    29.8783  -18.2192
            8   C1x C    29.4355  -16.8739
            9   C1x C    27.0855  -15.8250
            10  C1y C    26.8760  -20.3941
            11  C2x C    25.2585  -17.4646
            12  O5x O    25.7545  -19.8366
            13  C1x C    28.9950  -21.6225
            14  O1a O    31.2030  -18.6586
            15  C2y C    25.7030  -16.1200
            16  C1x C    26.1778  -21.6155
            17  C1x C    28.2845  -22.8350
            18  C1a C    24.7603  -15.0582
            19  N1y N    26.8759  -22.8314
            20  C1a C    26.0906  -23.9991
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1 #Down
            14    9  15 1
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 1
            19   19  20 1
            20    6  10 1
            21    7   8 1
            22   11  15 2
            23   17  19 1

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