KEGG   COMPOUND: C16783
Entry
C16783                      Compound                               
Name
Meliantriol
Formula
C30H50O5
Exact mass
490.3658
Mol weight
490.715
Structure
Other DBs
CAS: 25278-95-9
PubChem: 96023307
ChEBI: 80723
NIKKAJI: J55.637H
LinkDB
KCF data

ATOM        35
            1   C1y C    20.7409  -11.9159
            2   C1y C    21.1265  -13.2352
            3   C1x C    22.5002  -13.2060
            4   C1y C    22.9637  -11.9821
            5   O2x O    21.8763  -11.1415
            6   C1x C    14.1857  -18.5184
            7   C1y C    14.1857  -19.8503
            8   C1z C    15.3392  -20.5164
            9   C1y C    16.4927  -19.8503
            10  C1z C    16.4927  -18.5184
            11  C1x C    15.3392  -17.8525
            12  C1x C    17.6462  -20.5164
            13  C2x C    18.7997  -19.8503
            14  C2y C    18.7997  -18.5184
            15  C1y C    17.6462  -17.8525
            16  C1z C    19.9532  -17.8525
            17  C1z C    19.9532  -16.5205
            18  C1x C    18.7997  -15.8545
            19  C1x C    17.6462  -16.5205
            20  C1x C    22.2600  -17.8525
            21  C1x C    22.2600  -16.5205
            22  C1y C    21.1067  -15.8545
            23  C1a C    14.7196  -21.8028
            24  C1a C    16.0051  -21.6697
            25  O1a O    13.0322  -20.5164
            26  C1a C    16.4927  -17.1867
            27  C1a C    19.9496  -19.2153
            28  C1a C    19.9532  -15.1885
            29  C1c C    19.3664  -11.9159
            30  C1d C    18.3947  -12.8878
            31  C1a C    17.4227  -13.8598
            32  C1a C    17.4036  -11.9797
            33  O1a O    19.3664  -13.8597
            34  O1a O    18.8301  -10.6219
            35  O1a O    24.2735  -11.5989
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   15  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 1
            25   17  22 1
            26    8  23 1
            27    8  24 1
            28    7  25 1 #Up
            29   10  26 1 #Up
            30   16  27 1 #Up
            31   17  28 1 #Down
            32    2  22 1
            33    1  29 1
            34   29  30 1
            35   30  31 1
            36   30  32 1
            37   30  33 1
            38   29  34 1 #Up
            39    4  35 1 #Up

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