KEGG   COMPOUND: C10654
Entry
C10654                      Compound                               
Name
Casimiroin
Formula
C12H11NO4
Exact mass
233.0688
Mol weight
233.22
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C10654  Casimiroin
Other DBs
CAS: 477-89-4
PubChem: 12837
ChEBI: 3452
KNApSAcK: C00002146
PDB-CCD: XM5[PDBj]
3DMET: B04031
NIKKAJI: J6.143C
LinkDB
KCF data

ATOM        17
            1   C8x C    24.1850  -17.3461
            2   C8x C    25.3955  -16.6375
            3   C8y C    26.6170  -18.7359
            4   C8y C    26.6020  -17.3325
            5   C8y C    27.8126  -16.6223
            6   C8x C    29.0321  -17.3122
            7   C8y C    29.0409  -18.7121
            8   N4y N    27.8363  -19.4258
            9   C8y C    24.1932  -18.7518
            10  C8y C    25.4069  -19.4434
            11  O2x O    25.1282  -20.8146
            12  C1x C    23.8107  -20.8238
            13  O2x O    23.1619  -19.6938
            14  C1a C    27.8336  -20.8298
            15  O5x O    30.2534  -19.4202
            16  O2a O    27.8096  -15.2268
            17  C1a C    29.0240  -14.5286
BOND        19
            1     7   8 1
            2     8   3 1
            3     9   1 1
            4     1   2 2
            5     2   4 1
            6     3  10 1
            7     9  10 2
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11   13   9 1
            12    3   4 2
            13    8  14 1
            14    4   5 1
            15    7  15 2
            16    5   6 2
            17    5  16 1
            18    6   7 1
            19   16  17 1

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