KEGG   COMPOUND: C08478
Entry
C08478                      Compound                               
Name
Dianthramine;
2,2'-Iminobis(4-hydroxybenzoic acid)
Formula
C14H11NO6
Exact mass
289.0586
Mol weight
289.2402
Structure
Other DBs
CAS: 136945-65-8
PubChem: 10671
ChEBI: 4492
KNApSAcK: C00001537
NIKKAJI: J2.766.051G
LinkDB
KCF data

ATOM        21
            1   C8y C    28.6418  -18.8473
            2   C8y C    28.6594  -17.4587
            3   N1b N    27.4283  -19.5358
            4   C8x C    29.8438  -19.5707
            5   C8x C    29.8787  -16.7702
            6   C6a C    27.4574  -16.7526
            7   C8y C    27.4107  -20.9302
            8   C8y C    31.0690  -18.8822
            9   C8x C    31.0864  -17.4820
            10  O6a O    26.2379  -17.4353
            11  O6a O    27.4750  -15.3523
            12  C8y C    26.1855  -21.6187
            13  C8x C    28.6127  -21.6362
            14  O1a O    32.2709  -19.6174
            15  C8x C    26.1738  -23.0191
            16  C6a C    24.9894  -20.9127
            17  C8y C    28.6010  -23.0424
            18  C8x C    27.3816  -23.7367
            19  O6a O    23.7699  -21.5954
            20  O6a O    25.0068  -19.5125
            21  O1a O    29.8029  -23.7774
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 1
            19   16  20 2
            20   17  21 1
            21    8   9 2
            22   17  18 2

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