KEGG   COMPOUND: C08747Help
Entry
C08747                      Compound                               

Name
Ailanthone
Formula
C20H24O7
Exact mass
376.1522
Mol weight
376.4004
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08747  Ailanthone
BRITE hierarchy
Other DBs
CAS: 981-15-7
PubChem: 10940
ChEBI: 2522
ChEMBL: CHEMBL161015
KNApSAcK: C00003697
3DMET: B02372
NIKKAJI: J21.167B
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1z C    26.6456  -16.0123
            2   C1y C    25.3984  -15.2896
            3   C1y C    26.6397  -17.4457
            4   C1y C    27.8986  -15.3070
            5   C1x C    26.9894  -14.9107
            6   C1z C    24.1689  -16.0006
            7   C1z C    25.4276  -13.8443
            8   C1x C    25.4043  -18.1626
            9   O7x O    27.8810  -18.1683
            10  C2y C    27.9102  -13.8677
            11  C1x C    29.1397  -16.0297
            12  O2x O    26.5409  -14.0367
            13  C1y C    24.1630  -17.4340
            14  C1y C    22.9217  -15.2837
            15  C1a C    24.1573  -14.8353
            16  C1y C    26.6806  -13.1391
            17  O1a O    24.2506  -12.7776
            18  C7x C    29.1281  -17.4633
            19  C2a C    29.1630  -13.1567
            20  C2y C    22.9217  -18.1567
            21  C5x C    21.6804  -16.0006
            22  O1a O    22.7876  -13.8384
            23  O1a O    26.6923  -11.7056
            24  O6a O    30.3636  -18.1917
            25  C2x C    21.6804  -17.4340
            26  C1a C    22.8576  -19.5903
            27  O5x O    20.4334  -15.2720
BOND        31
            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    9  18 1
            18   10  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 1 #Up
            22   16  23 1 #Down
            23   18  24 2
            24   20  25 2
            25   20  26 1
            26   21  27 2
            27    7  12 1 #Up
            28    8  13 1
            29   10  16 1
            30   11  18 1
            31   21  25 1

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