KEGG   COMPOUND: C08778Help
Entry
C08778                      Compound                               

Name
Quassin;
Nigakilactone D
Formula
C22H28O6
Exact mass
388.1886
Mol weight
388.4541
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010611 Nortriterpenoids
     C08778  Quassin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08778  Nigakilactone D
Major components of natural products [BR:br08323]
 Crude drugs
  Picrasma wood
   C08778  Quassin
BRITE hierarchy
Other DBs
CAS: 76-78-8
PubChem: 10971
ChEBI: 8692
ChEMBL: CHEMBL517016
LIPIDMAPS: LMPR0106110002
KNApSAcK: C00003726
3DMET: B02400
NIKKAJI: J13.927K
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1z C    20.4749  -16.9003
            2   C1y C    19.2660  -16.1937
            3   C1y C    20.4690  -18.2962
            4   C1y C    21.6896  -16.2171
            5   C1a C    21.0942  -15.4928
            6   C1z C    18.0453  -16.8886
            7   C5x C    19.2776  -14.7919
            8   C1x C    19.2542  -19.0029
            9   O7x O    21.6722  -19.0145
            10  C2y C    21.7013  -14.8154
            11  C1x C    22.9045  -16.9179
            12  C1y C    18.0393  -18.2903
            13  C5x C    16.8363  -16.1877
            14  C1a C    18.0336  -15.7615
            15  C2y C    20.4983  -14.0970
            16  O5x O    18.0686  -13.9392
            17  C7x C    22.8869  -18.3197
            18  C1a C    22.9220  -14.1202
            19  C1y C    16.8363  -18.9971
            20  C2y C    15.6157  -16.8886
            21  O5x O    16.8363  -14.7860
            22  O2a O    20.5099  -12.6953
            23  O6a O    24.1018  -19.0379
            24  C2x C    15.6157  -18.2903
            25  C1a C    16.8363  -20.4046
            26  O2a O    14.3950  -16.1877
            27  C1a C    21.7130  -11.9828
            28  C1a C    13.1803  -16.8886
BOND        31
            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    7  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1
            22   17  23 2
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   26  28 1
            28    8  12 1
            29   10  15 2
            30   11  17 1
            31   20  24 2

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