KEGG   COMPOUND: C08805
Entry
C08805                      Compound                               
Name
Cucurbitacin Q
Formula
C32H48O8
Exact mass
560.3349
Mol weight
560.7187
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08805  Cucurbitacin Q
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08805  Cucurbitacin Q
Other DBs
CAS: 25383-25-9
PubChem: 10998
ChEBI: 3952
LIPIDMAPS: LMST01010115
KNApSAcK: C00003693
3DMET: B02424
NIKKAJI: J16.896C
LinkDB
KCF data

ATOM        40
            1   C1z C    25.4800  -30.1629
            2   C1z C    25.4917  -28.7943
            3   C1y C    24.2861  -30.8501
            4   C1x C    27.8562  -30.1921
            5   C1a C    25.4626  -31.5374
            6   C1y C    26.6856  -28.1245
            7   C1x C    24.3094  -28.0954
            8   C1a C    25.4857  -27.4140
            9   C1z C    23.1038  -30.1512
            10  C1x C    24.2861  -32.2246
            11  C1y C    27.8736  -28.8234
            12  C1d C    26.6797  -26.7443
            13  C5x C    23.1155  -28.7768
            14  C1y C    21.8982  -30.8327
            15  C1a C    23.7221  -31.5257
            16  C2x C    23.0921  -32.9061
            17  O1a O    29.0618  -28.1245
            18  C5a C    27.8679  -26.0570
            19  C1a C    25.4857  -26.0570
            20  O1a O    26.6739  -25.0139
            21  O5x O    21.9215  -28.0721
            22  C2y C    21.8925  -32.2130
            23  C1x C    20.7102  -30.1455
            24  C2b C    29.0618  -26.7384
            25  O5a O    27.8619  -24.6767
            26  C1z C    20.7102  -32.9061
            27  C1y C    19.5163  -30.8327
            28  C2b C    30.2498  -26.0511
            29  C1y C    19.5163  -32.2130
            30  C1a C    21.3915  -34.1000
            31  C1a C    20.0113  -34.1000
            32  O1a O    18.3164  -30.1455
            33  C1d C    31.4437  -26.7326
            34  O1a O    18.3164  -32.8945
            35  O7a O    31.4380  -28.1128
            36  C1a C    32.6319  -27.4199
            37  C1a C    32.6319  -26.0337
            38  C7a C    31.4321  -29.4873
            39  C1a C    32.6202  -30.1862
            40  O6a O    30.2265  -30.1746
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1 #Down
            17   12  18 1
            18   12  19 1 #Down
            19   12  20 1 #Up
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   18  24 1
            24   18  25 2
            25   22  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   29  34 1 #Down
            34   33  35 1
            35   33  36 1
            36   33  37 1
            37   35  38 1
            38   38  39 1
            39   38  40 2
            40    6  11 1
            41    9  13 1
            42   16  22 2
            43   27  29 1

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