KEGG   COMPOUND: C10393
Entry
C10393                      Compound                               

Name
Senecivernine;
21-Norsenecionan-11,16-dione, 12-hydroxy-14-methyl-, (12zeta,13zeta)-
Formula
C18H25NO5
Exact mass
335.1733
Mol weight
335.3948
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10393  Senecivernine
Other DBs
CAS: 72755-25-0
PubChem: 12579
ChEBI: 9109
ChEMBL: CHEMBL3349185
KNApSAcK: C00002118
3DMET: B03806
NIKKAJI: J459.211E
KCF data

ATOM        24
            1   C1y C    26.7668  -20.0215
            2   N1y N    26.7144  -21.0879
            3   C1y C    25.5138  -19.3279
            4   C2y C    27.8857  -19.3512
            5   C1x C    25.4264  -21.7289
            6   C1x C    27.9614  -21.7289
            7   C1x C    24.3948  -20.5343
            8   O7x O    25.5138  -17.9642
            9   C2x C    28.9230  -20.5343
            10  C1x C    27.8857  -17.9702
            11  C7x C    24.3191  -17.2825
            12  O7x O    29.0861  -17.2942
            13  C2y C    24.3191  -15.9012
            14  O6a O    23.1303  -17.9702
            15  C7x C    29.0920  -15.9072
            16  C1y C    25.5138  -15.2136
            17  C2a C    23.1303  -15.2136
            18  C1z C    27.8974  -15.2195
            19  O6a O    30.2808  -15.2136
            20  C1y C    26.7144  -15.9012
            21  C1a C    25.5021  -13.8149
            22  C1a C    27.1338  -13.8789
            23  O1a O    28.4687  -13.8849
            24  C1a C    26.7084  -17.0025
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 2
            9     4  10 1
            10    8  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 2
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   16  21 1 #Down
            21   18  22 1 #Down
            22   18  23 1 #Up
            23   20  24 1 #Down
            24    5   7 1
            25    6   9 1
            26   18  20 1

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