KEGG   COMPOUND: C10277Help
Entry
C10277                      Compound                               

Name
Anacrotine
Formula
C18H25NO6
Exact mass
351.1682
Mol weight
351.3942
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10277  Anacrotine
BRITE hierarchy
Other DBs
CAS: 
5096-49-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    27.3027  -19.9508
            2   N1y N    27.3203  -21.0080
            3   C1y C    26.1215  -19.2601
            4   C2y C    28.4885  -19.2777
            5   C1x C    26.0339  -21.6517
            6   C1x C    28.5645  -21.6517
            7   C1y C    25.0046  -20.4590
            8   O7x O    26.1215  -17.8978
            9   C2x C    29.5884  -20.3883
            10  C1x C    28.4885  -17.9038
            11  O1a O    23.6032  -20.4600
            12  C7x C    24.9286  -17.2202
            13  O7x O    29.6812  -17.2319
            14  C2y C    24.9286  -15.8464
            15  O6a O    23.7475  -17.9038
            16  C7x C    29.6871  -15.8523
            17  C1x C    26.1215  -15.1500
            18  C2b C    23.7475  -15.1500
            19  C1z C    28.5002  -15.1560
            20  O6a O    30.8800  -15.1500
            21  C1y C    27.3203  -15.8464
            22  C1a C    22.5429  -15.8464
            23  C1a C    27.8051  -13.9571
            24  O1a O    28.8576  -13.8287
            25  C1a C    27.3144  -16.9402
BOND        27
            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    7  11 1 #Up
            11    8  12 1
            12   10  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   14  17 1
            17   14  18 2
            18   16  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 1 #Down
            23   19  24 1 #Up
            24   21  25 1 #Down
            25    5   7 1
            26    6   9 1
            27   19  21 1

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