KEGG   COMPOUND: C09296
Entry
C09296                      Compound                               
Name
Archangelolide
Formula
C29H40O10
Exact mass
548.2621
Mol weight
548.6219
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09296  Archangelolide
Other DBs
CAS: 41929-11-7
PubChem: 11487
ChEBI: 2809
KNApSAcK: C00003214
3DMET: B05348
NIKKAJI: J2.769.160I
LinkDB
KCF data

ATOM        39
            1   C7a C    19.4701  -13.0027
            2   O7a O    20.8655  -12.3102
            3   C2c C    18.2723  -12.3102
            4   O6a O    19.4701  -14.3806
            5   C1a C    17.0817  -13.0027
            6   C2b C    18.2723  -10.9321
            7   C1a C    19.4701  -10.2464
            8   C7a C    24.4179  -10.5505
            9   C1a C    25.6153   -9.8649
            10  O6a O    23.2270   -9.8649
            11  O7a O    27.4454  -18.7372
            12  C1y C    22.0333  -13.1533
            13  C1z C    24.4867  -13.2274
            14  C1a C    25.6841  -12.5349
            15  C1y C    22.9424  -15.2029
            16  C1y C    23.8411  -16.2902
            17  C1y C    23.2426  -13.8419
            18  C2y C    21.5643  -15.3375
            19  C1y C    25.2251  -16.2701
            20  O7x O    23.4251  -17.6191
            21  C2x C    21.0095  -14.0763
            22  C1a C    20.8742  -16.5460
            23  C1z C    25.6904  -17.5789
            24  C1y C    26.0790  -15.1679
            25  C7x C    24.5689  -18.4185
            26  C1x C    25.7509  -13.8033
            27  O6a O    24.5891  -19.8023
            28  O7a O    24.4650  -11.8495
            29  O7a O    27.4547  -15.5658
            30  C7a C    28.7028  -14.6705
            31  C1c C    29.8936  -15.3560
            32  C1b C    31.0913  -14.6705
            33  C1a C    32.2818  -15.3560
            34  C1a C    29.8936  -16.7341
            35  O6a O    28.7028  -13.2924
            36  C1a C    25.6821  -18.9037
            37  C7a C    27.4678  -20.1292
            38  C1a C    28.6836  -20.8024
            39  O6a O    26.2744  -20.8411
BOND        41
            1    15  16 1
            2    15  17 1
            3    15  18 1
            4    16  19 1
            5    16  20 1
            6    17  12 1
            7    17  13 1
            8    18  21 2
            9    18  22 1
            10   19  23 1
            11   19  24 1
            12   20  25 1
            13   13  26 1
            14   25  27 2
            15   12  21 1
            16   23  25 1
            17   24  26 1
            18    1   3 1
            19    3   6 2
            20   13  28 1 #Up
            21    1   2 1
            22   12   2 1 #Up
            23   23  11 1 #Down
            24   28   8 1
            25   24  29 1 #Down
            26    6   7 1
            27   29  30 1
            28    1   4 2
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32    8   9 1
            33   31  34 1
            34    3   5 1
            35   30  35 2
            36   23  36 1 #Up
            37   11  37 1
            38   13  14 1 #Down
            39   37  38 1
            40    8  10 2
            41   37  39 2

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