KEGG   COMPOUND: C10677
Entry
C10677                      Compound                               
Name
Febrifugine
Formula
C16H19N3O3
Exact mass
301.1426
Mol weight
301.3404
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinazoline alkaloids
    C10677  Febrifugine
Other DBs
CAS: 24159-07-7
PubChem: 12860
ChEBI: 4994
KNApSAcK: C00002160
3DMET: B04052
NIKKAJI: J1.053.612J
KCF data

ATOM        22
            1   C8x C    20.6382  -17.7518
            2   C8x C    20.6382  -19.1540
            3   C8x C    21.8564  -19.8515
            4   C8x C    21.8564  -17.0472
            5   C8y C    23.0603  -17.7518
            6   C8y C    23.0622  -19.1540
            7   N5x N    24.2782  -19.8498
            8   C8x C    25.4925  -19.1507
            9   N4y N    25.4908  -17.7488
            10  C8y C    24.2746  -17.0457
            11  C1b C    26.6976  -17.0403
            12  C5a C    27.9094  -17.7378
            13  C1b C    29.1213  -17.0332
            14  C1y C    30.3332  -17.7307
            15  N1x N    30.3376  -19.1264
            16  C1x C    31.5424  -19.8168
            17  C1x C    32.7497  -19.1186
            18  C1x C    32.7453  -17.7231
            19  C1y C    31.5334  -17.0255
            20  O5x O    24.2669  -15.6381
            21  O5a O    27.9024  -19.1398
            22  O1a O    31.5238  -15.6170
BOND        24
            1     9  11 1
            2     1   2 1
            3    11  12 1
            4     2   3 2
            5    12  13 1
            6     3   6 1
            7    13  14 1
            8     5   4 1
            9     4   1 2
            10    5   6 2
            11    6   7 1
            12    7   8 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  14 1
            19    8   9 1
            20   10  20 2
            21    9  10 1
            22   12  21 2
            23   10   5 1
            24   19  22 1 #Down

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