KEGG   COMPOUND: C10634
Entry
C10634                      Compound                               
Name
Acrophylline
Formula
C17H17NO3
Exact mass
283.1208
Mol weight
283.3218
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10634  Acrophylline
Other DBs
CAS: 18904-40-0
PubChem: 12817
ChEBI: 2438
KNApSAcK: C00002131
3DMET: B04015
NIKKAJI: J109.850K
KCF data

ATOM        21
            1   N4y N    28.0184  -17.7669
            2   C8y C    28.0184  -14.9638
            3   C8y C    26.8078  -15.6611
            4   C8y C    26.8137  -17.0627
            5   C8x C    25.6089  -17.7722
            6   C8y C    24.3912  -17.0730
            7   C8x C    24.3853  -15.6714
            8   C8x C    25.5971  -14.9690
            9   C8y C    29.2360  -17.0627
            10  C8y C    29.2319  -15.6582
            11  C8x C    30.5666  -15.2224
            12  C8x C    31.3983  -16.3577
            13  O2x O    30.5734  -17.4977
            14  O5x O    28.0316  -13.5622
            15  C1b C    28.0246  -19.1615
            16  C2b C    26.8132  -19.8518
            17  C2c C    26.8132  -21.2464
            18  C1a C    25.6088  -21.9437
            19  C1a C    28.0316  -21.9437
            20  O2a O    23.1860  -17.7669
            21  C1a C    21.9745  -17.0627
BOND        23
            1     3   2 1
            2     2  10 1
            3     9  10 2
            4    10  11 1
            5    11  12 2
            6    12  13 1
            7    13   9 1
            8     3   4 2
            9     2  14 2
            10    4   5 1
            11    1  15 1
            12    5   6 2
            13   15  16 1
            14    6   7 1
            15   16  17 2
            16    7   8 2
            17   17  18 1
            18    8   3 1
            19   17  19 1
            20    9   1 1
            21    6  20 1
            22    1   4 1
            23   20  21 1

» Japanese version

  All links  
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (5)   

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