KEGG   COMPOUND: C09922Help
Entry
C09922                      Compound                               

Name
Cleomiscosin A
Formula
C20H18O8
Exact mass
386.1002
Mol weight
386.3521
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 76948-72-6
PubChem: 12108
ChEBI: 3740
ChEMBL: CHEMBL510091
KNApSAcK: C00002984
3DMET: B03381
NIKKAJI: J473.242A
KCF data Show

ATOM        28
            1   C8y C    29.8204  -18.8678
            2   C8y C    28.6124  -18.1675
            3   C8y C    31.0224  -18.1675
            4   O2x O    29.8261  -20.2684
            5   C8y C    28.6124  -16.7729
            6   O2x O    27.3928  -18.8678
            7   C8y C    31.0283  -16.7729
            8   O7x O    32.2246  -18.8619
            9   C1y C    28.6065  -20.9744
            10  C8x C    29.8261  -16.0667
            11  O2a O    27.3987  -16.0610
            12  C1y C    27.3928  -20.2684
            13  C8x C    32.2363  -16.0784
            14  C8y C    33.4326  -18.1733
            15  C1b C    28.6007  -22.3749
            16  C1a C    26.1790  -16.7670
            17  C8y C    26.1790  -20.9744
            18  C8x C    33.4383  -16.7846
            19  O6a O    34.6463  -18.8795
            20  O1a O    29.8087  -23.0810
            21  C8x C    24.9652  -20.2684
            22  C8x C    26.1790  -22.3749
            23  C8y C    23.7455  -20.9744
            24  C8x C    24.9652  -23.0752
            25  C8y C    23.7455  -22.3749
            26  O2a O    22.5318  -20.2684
            27  O1a O    22.5318  -23.0752
            28  C1a C    21.3239  -20.9686
BOND        31
            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    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1 #Down
            15   11  16 1
            16   12  17 1
            17   13  18 2
            18   14  19 2
            19   15  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28    7  10 1
            29    9  12 1
            30   14  18 1
            31   24  25 1

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