KEGG   COMPOUND: C10373Help
Entry
C10373                      Compound                               

Name
5-O-Methylembelin
Formula
C18H28O4
Exact mass
308.1988
Mol weight
308.4125
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 56005-10-8
PubChem: 12559
ChEBI: 65842
ChEMBL: CHEMBL471270
KNApSAcK: C00002842
3DMET: B03786
NIKKAJI: J638.074C
KCF data Show

ATOM        22
            1   C2y C    23.7408  -18.8299
            2   C5x C    22.5272  -18.1297
            3   C2y C    23.7408  -20.2303
            4   C1b C    24.9487  -18.1356
            5   C2y C    21.3077  -18.8299
            6   O5x O    22.5272  -16.7295
            7   C5x C    22.5272  -20.9364
            8   O1a O    24.9546  -20.9364
            9   C1b C    26.1624  -18.8358
            10  C2x C    21.3077  -20.2303
            11  O2a O    20.0941  -18.1297
            12  O5x O    22.5272  -22.3426
            13  C1b C    27.3703  -18.1473
            14  C1a C    18.8746  -18.8299
            15  C1b C    28.5781  -18.8416
            16  C1b C    29.7917  -18.1530
            17  C1b C    31.0053  -18.8475
            18  C1b C    32.2190  -18.1590
            19  C1b C    33.4269  -18.8592
            20  C1b C    34.6405  -18.1647
            21  C1b C    35.8542  -18.8649
            22  C1a C    37.0678  -18.1706
BOND        22
            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   11  14 1
            14   13  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   21  22 1
            22    7  10 1

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