KEGG   COMPOUND: C08481Help
Entry
C08481                      Compound                               

Name
Indican;
Indican, plant
Formula
C14H17NO6
Exact mass
295.1056
Mol weight
295.2879
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 487-60-5
PubChem: 10674
ChEBI: 16700
ChEMBL: CHEMBL2063300
KNApSAcK: C00001541
NIKKAJI: J6.023B
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    22.8200  -19.8800
            2   C1y C    22.8200  -21.2800
            3   C1y C    24.0324  -21.9800
            4   C1y C    25.2449  -21.2800
            5   C1y C    25.2449  -19.8800
            6   O2x O    24.0324  -19.1800
            7   C1b C    26.4760  -19.1690
            8   O1a O    24.0324  -23.3798
            9   O1a O    26.4760  -21.9910
            10  O1a O    21.6076  -21.9800
            11  O2a O    21.6076  -19.1800
            12  C8y C    20.4121  -19.8704
            13  O1a O    27.6812  -19.8647
            14  C8y C    19.1599  -19.3130
            15  C8y C    18.2429  -20.3316
            16  N4x N    18.9283  -21.5185
            17  C8x C    20.2689  -21.2335
            18  C8x C    18.7272  -17.9816
            19  C8x C    17.3578  -17.6906
            20  C8x C    16.4408  -18.7092
            21  C8x C    16.8735  -20.0407
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     3   8 1 #Down
            9     4   9 1 #Up
            10    2  10 1 #Up
            11    1  11 1
            12   11  12 1
            13    7  13 1
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 2
            19   14  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 2

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