KEGG   COMPOUND: C09168Help
Entry
C09168                      Compound                               

Name
Plaunol D
Formula
C20H22O7
Exact mass
374.1366
Mol weight
374.3845
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Clerodanes
    C09168  Plaunol D
BRITE hierarchy
Other DBs
CAS: 66302-50-9
PubChem: 11360
ChEBI: 8266
KNApSAcK: C00003472
3DMET: B02736
NIKKAJI: J37.234J
KCF data Show

ATOM        27
            1   C1z C    25.0921  -17.7421
            2   C1y C    25.0863  -16.3692
            3   C2y C    23.9011  -18.4321
            4   C1y C    26.2844  -18.4321
            5   C1x C    26.2611  -17.0475
            6   C1z C    26.2844  -15.6920
            7   C1x C    23.9011  -15.6861
            8   C2x C    22.7087  -17.7421
            9   C1x C    27.4582  -17.7538
            10  O2x O    25.2974  -15.3364
            11  C2y C    27.4641  -16.3808
            12  C1b C    26.9617  -14.4880
            13  C1y C    25.9257  -14.2518
            14  C1y C    22.7087  -16.3692
            15  C2a C    28.6622  -15.7037
            16  C1c C    28.1424  -13.7991
            17  O1a O    25.9105  -12.9751
            18  O1a O    21.5292  -15.6861
            19  C8y C    28.1449  -12.4313
            20  O1a O    29.3277  -14.4821
            21  C8x C    27.0269  -11.6405
            22  C8x C    29.2387  -11.6071
            23  C8x C    27.4309  -10.3304
            24  O2x O    28.7988  -10.3817
            25  C7x C    24.2559  -19.7928
            26  O7x O    25.9106  -19.7928
            27  O6a O    23.3987  -20.9116
BOND        31
            1     1   4 1
            2     1   5 1 #Down
            3     2   6 1
            4     2   7 1
            5     3   8 2
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     6  12 1 #Up
            10    6  13 1
            11    7  14 1
            12   11  15 2
            13   12  16 1
            14   13  17 1
            15   14  18 1 #Up
            16   16  19 1
            17   16  20 1 #Up
            18   19  21 1
            19   19  22 2
            20   21  23 2
            21   22  24 1
            22    8  14 1
            23    9  11 1
            24   13  10 1 #Down
            25   23  24 1
            26    3  25 1
            27    1   2 1
            28    4  26 1
            29   25  26 1
            30    1   3 1
            31   25  27 2

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