KEGG   COMPOUND: C01418Help
Entry
C01418                      Compound                               

Name
Cycasin
Formula
C8H16N2O7
Exact mass
252.0958
Mol weight
252.2218
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Cyanogenic glucosides
   Others
    C01418  Cycasin
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C01418  Cycasin
Natural toxins [BR:br08009]
 Phytotoxins
  Glycosides
   Cyanogenic glycosides
    C01418  Cycasin
BRITE hierarchy
Other DBs
CAS: 14901-08-7
PubChem: 4605
ChEBI: 17074
KNApSAcK: C00001535
NIKKAJI: J3.130E
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1y C    36.5219  -21.8625
            2   O2x O    35.3591  -21.1964
            3   C1y C    36.5219  -23.1888
            4   O2a O    37.6848  -21.1964
            5   C1y C    34.1904  -21.8625
            6   C1y C    35.3591  -23.8726
            7   O1a O    37.6848  -23.8726
            8   C1b C    39.0928  -21.6804
            9   C1y C    34.1904  -23.1888
            10  C1b C    33.0510  -21.1964
            11  O1a O    35.3591  -25.2106
            12  N2b N    40.5707  -20.4389
            13  O1a O    33.0510  -23.8726
            14  O1a O    32.0225  -22.0553
            15  N2b N    41.9146  -20.3922 #+
            16  C1a C    42.8788  -18.9430
            17  O3a O    43.1418  -21.9581 #-
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    9  13 1 #Down
            13   10  14 1
            14   12  15 2
            15   15  16 1
            16   15  17 1
            17    6   9 1

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