KEGG   COMPOUND: C08776Help
Entry
C08776                      Compound                               

Name
Picrasin C;
Nigakilactone J;
Quassin
Formula
C23H34O7
Exact mass
422.2305
Mol weight
422.5119
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08776  Nigakilactone J
BRITE hierarchy
Other DBs
CAS: 33804-89-6
PubChem: 10969
ChEBI: 8203
KNApSAcK: C00003724
3DMET: B02398
NIKKAJI: J34.258K
KCF data Show

ATOM        30
            1   C1z C    28.8167  -22.2192
            2   C1y C    27.6094  -21.5077
            3   C1y C    30.0354  -21.5251
            4   C1y C    28.8108  -23.6130
            5   C1a C    28.8050  -20.8778
            6   C1z C    26.3905  -22.2075
            7   C1y C    27.5511  -20.1079
            8   C1y C    30.0471  -20.1255
            9   C1x C    31.2486  -22.2366
            10  C1x C    27.5978  -24.3128
            11  O7x O    30.0180  -24.3187
            12  C1y C    26.3846  -23.6072
            13  C5x C    25.1833  -21.5019
            14  C1a C    26.3789  -20.8021
            15  C1y C    28.8399  -19.4198
            16  O7a O    27.6152  -18.7025
            17  C1a C    31.2660  -19.4374
            18  C7x C    31.2369  -23.6363
            19  C1y C    25.1833  -24.3071
            20  C1y C    23.9701  -22.2075
            21  O5x O    25.1833  -20.0963
            22  O2a O    28.8515  -18.0201
            23  C7a C    26.4022  -18.0026
            24  O6a O    32.4442  -24.3421
            25  C1x C    23.9701  -23.6072
            26  C1a C    25.1833  -25.7068
            27  O1a O    22.7571  -21.5019
            28  C1a C    30.0704  -17.3261
            29  C1a C    25.1890  -18.7025
            30  O6a O    26.4022  -16.6029
BOND        33
            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 #Down
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 1 #Down
            16    8  17 1 #Down
            17    9  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1 #Up
            22   16  23 1
            23   18  24 2
            24   19  25 1
            25   19  26 1 #Down
            26   20  27 1 #Down
            27   22  28 1
            28   23  29 1
            29   23  30 2
            30    8  15 1
            31   10  12 1
            32   11  18 1
            33   20  25 1

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