KEGG   COMPOUND: C01421Help
Entry
C01421                      Compound                               

Name
Daphnin
Formula
C15H16O9
Exact mass
340.0794
Mol weight
340.2821
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 486-55-5
PubChem: 4608
ChEBI: 17989
ChEMBL: CHEMBL1879316
KNApSAcK: C00037003
NIKKAJI: J6.012G
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    25.5103  -15.2287
            2   C8y C    25.5103  -16.5881
            3   C8y C    24.3364  -14.5551
            4   O7x O    26.6907  -14.5367
            5   C8x C    24.3364  -17.2741
            6   C8x C    26.6968  -17.2741
            7   C8y C    23.1684  -15.2287
            8   O1a O    24.3301  -13.3544
            9   C8y C    27.8769  -15.2225
            10  C8x C    23.1684  -16.5881
            11  C8x C    27.8893  -16.5944
            12  O2a O    22.0068  -14.5614
            13  O6a O    28.8987  -14.5428
            14  C1y C    19.7452  -15.8219
            15  O2x O    18.5711  -15.1485
            16  C1y C    19.7452  -17.1628
            17  C1y C    17.4032  -15.8219
            18  C1y C    18.5711  -17.8425
            19  O1a O    20.9069  -17.8425
            20  C1y C    17.4032  -17.1628
            21  C1b C    16.2539  -15.1485
            22  O1a O    18.5711  -19.1834
            23  O1a O    16.2539  -17.8425
            24  O1a O    15.2221  -16.0197
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    9  13 2
            13   14  12 1 #Up
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1 #Up
            22   20  23 1 #Down
            23   21  24 1
            24    7  10 1
            25    9  11 1
            26   18  20 1

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