KEGG   COMPOUND: C09697
Entry
C09697                      Compound                               
Name
Laserpitin
Formula
C25H38O7
Exact mass
450.2618
Mol weight
450.565
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09697  Laserpitin
Other DBs
CAS: 7067-12-1
PubChem: 11887
ChEBI: 6381
KNApSAcK: C00003160
3DMET: B03205
NIKKAJI: J8.889G
LinkDB
KCF data

ATOM        32
            1   C1y C    26.6922  -21.1982
            2   C1z C    26.2599  -19.8603
            3   C1y C    28.0183  -21.6948
            4   C1z C    25.5705  -22.0160
            5   C1y C    27.0368  -18.6744
            6   C1x C    24.8578  -19.8663
            7   C1a C    25.5531  -18.6393
            8   C1x C    29.2335  -20.9644
            9   O7a O    28.1469  -23.0852
            10  C1x C    24.4373  -21.1982
            11  C1c C    25.5764  -23.4124
            12  O1a O    24.2094  -22.3725
            13  C5x C    28.4389  -18.5401
            14  O7a O    26.3126  -17.4827
            15  C1z C    29.4146  -19.5625
            16  C7a C    29.3504  -23.7746
            17  C1a C    24.3671  -24.1192
            18  C1a C    26.7857  -24.1075
            19  O5x O    28.9297  -17.2315
            20  C7a C    27.0077  -16.2675
            21  C1a C    30.6180  -20.2576
            22  O1a O    30.6180  -18.8498
            23  C2c C    30.5597  -23.0735
            24  O6a O    29.3562  -25.1708
            25  C2c C    26.3066  -15.0641
            26  O6a O    28.4039  -16.2617
            27  C2b C    31.7631  -23.7629
            28  C1a C    30.6238  -21.6772
            29  C2b C    27.0018  -13.8548
            30  C1a C    24.9104  -15.0641
            31  C1a C    28.3995  -13.8511
            32  C1a C    31.7678  -25.1606
BOND        33
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     2   7 1 #Up
            6     3   8 1
            7     3   9 1 #Down
            8     4  10 1
            9     4  11 1 #Down
            10    4  12 1 #Up
            11    5  13 1
            12    5  14 1 #Down
            13    8  15 1
            14    9  16 1
            15   11  17 1
            16   11  18 1
            17   13  19 2
            18   14  20 1
            19   15  21 1 #Up
            20   15  22 1 #Down
            21   16  23 1
            22   16  24 2
            23   20  25 1
            24   20  26 2
            25   23  27 2
            26   23  28 1
            27   25  29 2
            28   25  30 1
            29    6  10 1
            30   13  15 1
            31   29  31 1
            32    1   2 1
            33   27  32 1

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