KEGG   COMPOUND: C17035
Entry
C17035                      Compound                               
Name
Nigakilactone M
Formula
C21H30O7
Exact mass
394.1992
Mol weight
394.4587
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C17035  Nigakilactone M
Other DBs
PubChem: 96023514
ChEBI: 80877
NIKKAJI: J34.267J
LinkDB
KCF data

ATOM        28
            1   C2y C    24.6400  -21.4900
            2   C2x C    24.6400  -22.8900
            3   C1y C    25.8300  -23.5900
            4   C1y C    27.0200  -22.8900
            5   C1z C    27.0200  -21.4900
            6   C5x C    25.8300  -20.7900
            7   C1x C    28.2800  -23.5900
            8   C1y C    29.4700  -22.8900
            9   C1z C    29.4700  -21.4900
            10  C1y C    28.2800  -20.7900
            11  O7x O    30.7300  -23.5900
            12  C7x C    31.9200  -22.8900
            13  C1x C    31.9200  -21.4900
            14  C1z C    30.7300  -20.7900
            15  C1y C    30.7300  -19.3900
            16  C1y C    29.4700  -18.6900
            17  C1y C    28.2800  -19.3900
            18  O2a O    23.3100  -20.7900
            19  C1a C    22.1200  -21.4900
            20  O6a O    33.1100  -23.5900
            21  C1a C    31.9200  -18.6900
            22  O5x O    25.8300  -19.3900
            23  C1a C    27.0200  -20.1600
            24  C1a C    29.4700  -20.2300
            25  C1a C    25.8300  -25.0600
            26  O1a O    29.4528  -17.2901
            27  O1a O    27.2047  -18.4149
            28  O1a O    30.7128  -22.1899
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Down
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   17  10 1
            21    1  18 1
            22   18  19 1
            23   12  20 2
            24   15  21 1 #Down
            25    6  22 2
            26    5  23 1 #Up
            27    9  24 1 #Up
            28    3  25 1 #Down
            29   16  26 1 #Up
            30   17  27 1 #Down
            31   14  28 1 #Up

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