KEGG   COMPOUND: C10328
Entry
C10328                      Compound                               

Name
Integerrimine
Formula
C18H25NO5
Exact mass
335.1733
Mol weight
335.3948
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10328  Integerrimine
Other DBs
CAS: 480-79-5
PubChem: 12514
ChEBI: 5935
ChEMBL: CHEMBL488203
KNApSAcK: C00002092
3DMET: B03745
NIKKAJI: J107.103C
KCF data

ATOM        24
            1   C1y C    26.6779  -20.0029
            2   C1y C    25.4947  -19.3151
            3   N1y N    26.6955  -21.0697
            4   C2y C    27.8728  -19.3327
            5   C1x C    24.3757  -20.5159
            6   O7x O    25.4947  -17.9455
            7   C1x C    25.4131  -21.7108
            8   C1x C    27.9485  -21.7108
            9   C2x C    28.9046  -20.5159
            10  C1x C    27.8728  -17.9512
            11  C7x C    24.2998  -17.2634
            12  O7x O    29.0736  -17.2751
            13  C2y C    24.2998  -15.8821
            14  O6a O    23.1166  -17.9512
            15  C7x C    29.0794  -15.8878
            16  C1x C    25.4947  -15.1943
            17  C2b C    23.1166  -15.1943
            18  C1z C    27.8845  -15.2002
            19  O6a O    30.2685  -15.1943
            20  C1y C    26.6955  -15.8821
            21  C1a C    27.2550  -13.8594
            22  O1a O    28.3859  -13.8653
            23  C1a C    26.6896  -16.9134
            24  C1a C    23.1206  -13.7998
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    6  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   18  21 1 #Down
            21   18  22 1 #Up
            22   20  23 1 #Down
            23    5   7 1
            24    8   9 1
            25   18  20 1
            26   17  24 1

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