KEGG   COMPOUND: C09948
Entry
C09948                      Compound                               
Name
Kolanone
Formula
C33H42O4
Exact mass
502.3083
Mol weight
502.6842
Structure
Other DBs
CAS: 81827-55-6
PubChem: 12134
ChEBI: 6144
KNApSAcK: C00003001
3DMET: B03403
NIKKAJI: J2.573.180H
LinkDB
KCF data

ATOM        37
            1   C1b C    28.5079  -19.8213
            2   C2b C    27.1081  -19.8213
            3   C2c C    26.4083  -21.0286
            4   C1b C    25.0085  -21.0286
            5   C1a C    27.1139  -22.2476
            6   C1b C    24.3086  -22.2418
            7   C2b C    22.9147  -22.2418
            8   C2c C    22.2149  -23.4549
            9   C1a C    20.8208  -23.4549
            10  C1a C    22.9205  -24.6681
            11  C1z C    29.2161  -18.6162
            12  C5x C    30.4293  -17.9223
            13  C2y C    28.0088  -17.9164
            14  C1b C    29.9336  -19.8235
            15  C2y C    30.4351  -16.5283
            16  O5x O    31.6424  -18.6279
            17  C2y C    28.0147  -16.5225
            18  O1a O    26.7898  -18.6105
            19  C2b C    31.3332  -19.8178
            20  C2y C    29.2278  -15.8226
            21  C5a C    31.6424  -15.8285
            22  C1b C    26.8015  -15.8109
            23  C2c C    32.0390  -21.0308
            24  O1a O    29.2278  -14.4171
            25  C8y C    32.8554  -16.5342
            26  O5a O    31.6481  -14.4288
            27  C2b C    25.5942  -16.5051
            28  C1a C    33.4445  -21.0251
            29  C1a C    31.3508  -22.2498
            30  C8x C    32.8496  -17.9339
            31  C8x C    34.0627  -15.8343
            32  C2c C    24.3869  -15.7993
            33  C8x C    34.0569  -18.6396
            34  C8x C    35.2759  -16.5399
            35  C1a C    23.1739  -16.4992
            36  C1a C    24.3869  -14.3995
            37  C8x C    35.2759  -17.9456
BOND        38
            1     7   8 2
            2     8   9 1
            3     8  10 1
            4     1   2 1
            5     2   3 2
            6     3   4 1
            7     3   5 1
            8     4   6 1
            9     6   7 1
            10   11  12 1
            11   11  13 1
            12   11  14 1 #Up
            13   12  15 1
            14   12  16 2
            15   13  17 2
            16   13  18 1
            17   14  19 1
            18   15  20 2
            19   15  21 1
            20   17  22 1
            21   19  23 2
            22   20  24 1
            23   21  25 1
            24   21  26 2
            25   22  27 1
            26   23  28 1
            27   23  29 1
            28   25  30 2
            29   25  31 1
            30   27  32 2
            31   30  33 1
            32   31  34 2
            33   32  35 1
            34   32  36 1
            35   33  37 2
            36   17  20 1
            37   34  37 1
            38   11   1 1 #Down

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