KEGG   COMPOUND: C01550Help
Entry
C01550                      Compound                               

Name
Agaritine
Formula
C12H17N3O4
Exact mass
267.1219
Mol weight
267.2811
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Agaricus [TAX:5340]
Reaction
Enzyme
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C01550  Agaritine
BRITE hierarchy
Other DBs
CAS: 
2757-90-6
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    21.1122  -10.5000
            2   N1b N    22.3246   -9.8000
            3   N1b N    23.5370  -10.5000
            4   C5a C    24.7495   -9.8000
            5   C1b C    25.9619  -10.5000
            6   C1b C    27.1744   -9.8000
            7   C1c C    28.3868  -10.5000
            8   C6a C    29.5992   -9.8000
            9   O6a O    30.8117  -10.5000
            10  O6a O    29.5992   -8.4000
            11  N1a N    28.3868  -11.8996
            12  O5a O    24.7495   -8.4003
            13  C8x C    19.9208   -9.8119
            14  C8x C    18.7082  -10.5117
            15  C8y C    18.7080  -11.9117
            16  C8x C    19.8994  -12.5998
            17  C8x C    21.1119  -11.9000
            18  C1b C    17.4872  -12.6164
            19  O1a O    16.2775  -11.9178
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     8  10 2
            10    7  11 1 #Up
            11    4  12 2
            12    1  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17    1  17 1
            18   15  18 1
            19   18  19 1

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