KEGG   COMPOUND: C09216Help
Entry
C09216                      Compound                               

Name
Daphnoretin
Formula
C19H12O7
Exact mass
352.0583
Mol weight
352.2944
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09216  Daphnoretin
BRITE hierarchy
Other DBs
CAS: 2034-69-7
PubChem: 11407
ChEBI: 4324
ChEMBL: CHEMBL508494
KNApSAcK: C00002463
3DMET: B02774
NIKKAJI: J419.756I
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    25.2603  -17.3538
            2   C8y C    25.2486  -15.9605
            3   C8x C    26.4728  -18.0534
            4   C8x C    24.0536  -18.0767
            5   O7x O    26.4554  -15.2609
            6   C8x C    24.0245  -15.2726
            7   C8y C    27.6795  -17.3422
            8   C8y C    22.8352  -17.3888
            9   C8y C    27.6678  -15.9488
            10  C8y C    22.8178  -15.9838
            11  O2a O    28.8862  -18.0417
            12  O2a O    21.6285  -18.1058
            13  O6a O    28.8746  -15.2435
            14  O1a O    21.5994  -15.3018
            15  C8y C    30.0989  -17.3305
            16  C1a C    20.4043  -17.4179
            17  C8x C    31.3173  -18.0300
            18  C8x C    30.0930  -15.9314
            19  C8y C    32.5181  -17.3129
            20  C8x C    31.2997  -15.2259
            21  C8y C    32.5181  -15.9138
            22  O7x O    33.7306  -18.0184
            23  C8x C    33.7306  -15.2202
            24  C8y C    34.9432  -17.3129
            25  C8x C    34.9432  -15.9138
            26  O6a O    36.1616  -18.0184
BOND        29
            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     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   15  17 2
            17   15  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   19  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 2
            25   24  26 2
            26    7   9 1
            27    8  10 1
            28   20  21 1
            29   24  25 1

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