KEGG   COMPOUND: C08638
Entry
C08638                      Compound                               
Name
Tingenone
Formula
C28H36O3
Exact mass
420.2664
Mol weight
420.5836
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08638  Tingenone
Other DBs
CAS: 50802-21-6
PubChem: 10831
ChEBI: 9602
KNApSAcK: C00003759
3DMET: B02291
NIKKAJI: J10.251B
LinkDB
KCF data

ATOM        31
            1   C1z C    26.6013  -16.2930
            2   C1z C    26.6188  -14.8912
            3   C2y C    25.3864  -16.9880
            4   C1x C    27.7987  -17.0054
            5   C1a C    26.5837  -17.6889
            6   C1y C    27.8338  -14.2137
            7   C1x C    25.4098  -14.1844
            8   C1a C    26.6071  -13.4894
            9   C1z C    24.1775  -16.2754
            10  C2x C    25.3864  -18.3898
            11  C1x C    29.0194  -16.3221
            12  C1z C    29.0369  -14.9263
            13  C1x C    27.8571  -12.8177
            14  C1x C    24.1192  -14.8736
            15  C2y C    22.9568  -16.9763
            16  C1a C    24.7258  -17.6712
            17  C2x C    24.1658  -19.0847
            18  C1x C    30.2518  -14.2488
            19  C1a C    30.2401  -15.6270
            20  C1y C    29.0719  -12.1344
            21  C2y C    22.9509  -18.3781
            22  C2x C    21.7478  -16.2696
            23  C5x C    30.2052  -12.8527
            24  C1a C    29.0602  -10.7384
            25  C2y C    21.7478  -19.0790
            26  C5x C    20.5328  -16.9763
            27  O5x O    31.5017  -12.1635
            28  C2y C    20.5328  -18.3781
            29  C1a C    21.7535  -20.4808
            30  O5x O    19.3121  -16.2696
            31  O1a O    19.3121  -19.0790
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 2
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15    9  16 1 #Up
            16   10  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   13  20 1
            20   15  21 1
            21   15  22 2
            22   18  23 1
            23   20  24 1 #Up
            24   21  25 1
            25   22  26 1
            26   23  27 2
            27   25  28 2
            28   25  29 1
            29   26  30 2
            30   28  31 1
            31    9  14 1
            32   11  12 1
            33   17  21 2
            34   20  23 1
            35   26  28 1

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