KEGG   COMPOUND: C10342Help
Entry
C10342                      Compound                               

Name
Embelin
Formula
C17H26O4
Exact mass
294.1831
Mol weight
294.3859
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 550-24-3
PubChem: 12528
ChEBI: 4778
ChEMBL: CHEMBL221137
KNApSAcK: C00002822
PDB-CCD: EMJ[PDBj]
3DMET: B03757
NIKKAJI: J6.710E
KCF data Show

ATOM        21
            1   C2y C    23.1560  -18.8415
            2   C5x C    21.9534  -18.1469
            3   C2y C    23.1560  -20.2485
            4   C1b C    24.3643  -18.1469
            5   C2y C    20.7333  -18.8415
            6   O5x O    21.9534  -16.7401
            7   C5x C    21.9534  -20.9548
            8   O1a O    24.3759  -20.9548
            9   C1b C    25.5786  -18.8358
            10  C2x C    20.7333  -20.2485
            11  O1a O    19.5132  -18.1469
            12  O5x O    21.9534  -22.3558
            13  C1b C    26.7927  -18.1410
            14  C1b C    28.0071  -18.8298
            15  C1b C    29.2155  -18.1293
            16  C1b C    30.4296  -18.8241
            17  C1b C    31.6438  -18.1235
            18  C1b C    32.8522  -18.8181
            19  C1b C    34.0665  -18.1178
            20  C1b C    35.2749  -18.8065
            21  C1a C    36.4890  -18.1119
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    7  10 1

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