KEGG   COMPOUND: C10333Help
Entry
C10333                      Compound                               

Name
Isatidine;
Retrorsine N-oxide
Formula
C18H25NO7
Exact mass
367.1631
Mol weight
367.3936
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10333  Isatidine
BRITE hierarchy
Other DBs
CAS: 
15503-86-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    28.9270  -18.4970
            2   N2y N    28.9446  -19.5568
            3   C1y C    27.7450  -17.8041
            4   C2y C    30.1207  -17.8215
            5   C1x C    27.6636  -20.2032
            6   C1x C    30.1965  -20.2032
            7   O3a O    28.9329  -20.9486
            8   C1x C    26.6328  -19.0095
            9   O7x O    27.7238  -16.4345
            10  C2x C    31.1572  -19.0095
            11  C1x C    30.1207  -16.4473
            12  C7x C    26.5513  -15.7544
            13  O7x O    31.3903  -15.7661
            14  C2y C    26.5513  -14.3802
            15  O6a O    25.3692  -16.4473
            16  C7x C    31.3261  -14.3861
            17  C1x C    27.7450  -13.6874
            18  C2b C    25.3692  -13.6874
            19  C1z C    30.1324  -13.6931
            20  O6a O    32.5140  -13.6874
            21  C1y C    28.9446  -14.3802
            22  C1a C    24.1698  -14.3802
            23  C1b C    29.4336  -12.4937
            24  O1a O    30.4934  -12.3598
            25  C1a C    28.9449  -15.7034
            26  O1a O    28.0004  -12.4947
BOND        28
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     2   7 2
            6     3   8 1
            7     4  10 2
            8     4  11 1
            9     9  12 1
            10   11  13 1
            11   12  14 1
            12   12  15 2
            13   13  16 1
            14   14  17 1
            15   14  18 2
            16   16  19 1
            17   16  20 2
            18   17  21 1
            19   18  22 1
            20   19  23 1 #Down
            21   19  24 1 #Up
            22    5   8 1
            23    6  10 1
            24   19  21 1
            25    3   9 1 #Up
            26   21  25 1 #Down
            27    1   2 1
            28   23  26 1

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