KEGG   COMPOUND: C17031
Entry
C17031                      Compound                               
Name
Nigakilactone F
Formula
C22H32O7
Exact mass
408.2148
Mol weight
408.4853
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C17031  Nigakilactone F
Other DBs
CAS: 28387-43-1
PubChem: 96023510
ChEBI: 80873
NIKKAJI: J34.254H
LinkDB
KCF data

ATOM        29
            1   C1z C    29.3300  -22.1200
            2   C1y C    28.1400  -21.4200
            3   C1y C    30.6600  -21.4900
            4   C1y C    29.3300  -23.5900
            5   C1a C    29.3300  -20.7900
            6   C1z C    27.0200  -22.1200
            7   C1y C    28.1400  -20.0200
            8   C1z C    30.6600  -20.0900
            9   C1x C    31.8500  -22.1900
            10  C1x C    28.1400  -24.2200
            11  O7x O    30.6600  -24.2200
            12  C1y C    27.0200  -23.5900
            13  C5x C    25.8300  -21.4200
            14  C1a C    27.0200  -20.7200
            15  C1y C    29.3300  -19.2500
            16  C7x C    31.8500  -23.6600
            17  C1y C    25.8300  -24.2200
            18  C2y C    24.5000  -22.1200
            19  O5x O    25.8300  -20.0200
            20  O6a O    33.0400  -24.2900
            21  C2x C    24.5000  -23.5900
            22  C1a C    25.8300  -25.6200
            23  O2a O    23.3800  -21.4200
            24  O1a O    27.2300  -18.9700
            25  O2a O    29.3300  -17.8500
            26  C1a C    22.1900  -22.1200
            27  C1a C    30.5900  -17.1500
            28  C1a C    31.8500  -19.3900
            29  O1a O    31.7800  -20.9300
BOND        32
            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    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    9  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 2
            19   16  20 2
            20   17  21 1
            21   17  22 1 #Down
            22    8  15 1
            23   10  12 1
            24   11  16 1
            25   18  21 2
            26   18  23 1
            27    7  24 1 #Down
            28   15  25 1 #Up
            29   23  26 1
            30   25  27 1
            31    8  28 1 #Down
            32    8  29 1 #Up

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