KEGG   COMPOUND: C16750
Entry
C16750                      Compound                               

Name
Acetylintermedine
Formula
C17H27NO6
Exact mass
341.1838
Mol weight
341.3994
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C16750  Acetylintermedine
Other DBs
CAS: 74243-01-9
PubChem: 96023274
ChEBI: 80702
KNApSAcK: C00026163
NIKKAJI: J228.013B
KCF data

ATOM        24
            1   C1y C    26.2152  -23.5783
            2   N1y N    26.2152  -24.9929
            3   C1x C    27.5605  -25.4300
            4   C2x C    28.3920  -24.2857
            5   C2y C    27.5605  -23.1412
            6   C1y C    24.8699  -23.1412
            7   C1x C    24.0384  -24.2857
            8   C1x C    24.8699  -25.4300
            9   O7a O    24.8699  -21.7412
            10  C7a C    23.6555  -21.0398
            11  O6a O    22.4334  -21.7449
            12  C1a C    23.6559  -19.6700
            13  C1b C    27.5605  -21.7412
            14  O7a O    28.7747  -21.0402
            15  C7a C    29.9964  -21.7452
            16  C1d C    31.2225  -21.0365
            17  O6a O    29.9963  -23.1696
            18  C1c C    32.4478  -21.7428
            19  C1c C    31.2216  -19.6700
            20  C1a C    30.0075  -18.9701
            21  C1a C    32.4324  -18.9699
            22  O1a O    32.4349  -20.1265
            23  C1a C    33.6713  -21.0347
            24  O1a O    32.4484  -23.1696
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    6   9 1 #Up
            11    9  10 1
            12   10  11 2
            13   10  12 1
            14    5  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   16  19 1 #Down
            21   19  20 1
            22   19  21 1
            23   16  22 1 #Up
            24   18  23 1
            25   18  24 1 #Up

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