KEGG   COMPOUND: C08746
Entry
C08746                      Compound                               
Name
Ailanthinone
Formula
C25H34O9
Exact mass
478.2203
Mol weight
478.5321
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08746  Ailanthinone
Other DBs
CAS: 53683-73-1
PubChem: 10939
ChEBI: 2521
KNApSAcK: C00003696
3DMET: B05288
NIKKAJI: J20.603B
LinkDB
KCF data

ATOM        34
            1   C1z C    24.1674  -16.0068
            2   C1y C    22.9477  -15.2831
            3   C1y C    25.4104  -15.3065
            4   C1y C    24.1615  -17.4249
            5   C1x C    24.6050  -15.0438
            6   C1z C    21.7046  -15.9894
            7   C1z C    22.9593  -13.8651
            8   C1y C    26.6359  -16.0242
            9   C1y C    25.4220  -13.8825
            10  C1x C    22.9360  -18.1428
            11  O7x O    25.3871  -18.1485
            12  O2x O    24.1265  -14.0926
            13  C1y C    21.6988  -17.4132
            14  C1y C    20.4791  -15.2774
            15  C1a C    21.6929  -14.7054
            16  C1y C    24.1907  -13.1647
            17  O1a O    21.8563  -12.9371
            18  C7x C    26.6943  -17.4482
            19  O7a O    27.8790  -15.3241
            20  C1a C    26.6534  -13.1822
            21  C2y C    20.4791  -18.1369
            22  C5x C    19.2418  -15.9894
            23  O1a O    20.4674  -13.8534
            24  O1a O    24.1848  -11.7350
            25  O6a O    27.8556  -18.1719
            26  C7a C    29.1045  -16.0418
            27  C2x C    19.2418  -17.4132
            28  C1a C    20.4849  -19.5609
            29  O5x O    18.0104  -15.2774
            30  C1c C    30.3416  -15.3298
            31  O6a O    29.1045  -17.4658
            32  C1b C    31.5673  -16.0476
            33  C1a C    32.7987  -15.3415
            34  C1a C    30.3416  -13.9298
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Up
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Down
            20   13  21 1
            21   14  22 1
            22   14  23 1 #Up
            23   16  24 1 #Down
            24   18  25 2
            25   19  26 1
            26   21  27 2
            27   21  28 1
            28   22  29 2
            29   26  30 1
            30   26  31 2
            31   30  32 1
            32   32  33 1
            33    7  12 1 #Up
            34    9  16 1
            35   10  13 1
            36   11  18 1
            37   22  27 1
            38   30  34 1

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