KEGG   COMPOUND: C08794
Entry
C08794                      Compound                               

Name
Cucurbitacin B
Formula
C32H46O8
Exact mass
558.3193
Mol weight
558.7028
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08794  Cucurbitacin B
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08794  Cucurbitacin B
Other DBs
CAS: 6199-67-3
PubChem: 10987
ChEBI: 3941
ChEMBL: CHEMBL508185
LIPIDMAPS: LMST01010104
LipidBank: SST0173
KNApSAcK: C00003683
3DMET: B02415
NIKKAJI: J8.359C
KCF data

ATOM        40
            1   C1z C    25.4742  -30.1664
            2   C1z C    25.4917  -28.7974
            3   C1y C    24.2866  -30.8450
            4   C1x C    27.8552  -30.1957
            5   C1a C    25.4625  -31.5353
            6   C1y C    26.6851  -28.1247
            7   C1x C    24.3099  -28.0953
            8   C1a C    25.4858  -27.4167
            9   C1z C    23.1048  -30.1546
            10  C1x C    24.2866  -32.2199
            11  C1y C    27.8669  -28.8267
            12  C1d C    26.6793  -26.7440
            13  C5x C    23.1165  -28.7799
            14  C1y C    21.9054  -30.8275
            15  C1a C    23.7231  -31.5236
            16  C2x C    23.0931  -32.9043
            17  O1a O    29.0663  -28.1247
            18  C5a C    27.8669  -26.0594
            19  C1a C    25.4158  -26.1994
            20  O1a O    26.6734  -25.0833
            21  O5x O    21.9289  -28.0719
            22  C2y C    21.8997  -32.2082
            23  C1x C    20.7178  -30.1489
            24  C2b C    29.0663  -26.7380
            25  O5a O    27.8669  -24.6787
            26  C1z C    20.7178  -32.9043
            27  C1y C    19.5185  -30.8275
            28  C2b C    30.2479  -26.0536
            29  C5x C    19.5185  -32.2082
            30  C1a C    20.0158  -34.0979
            31  C1a C    21.3965  -34.0979
            32  O1a O    18.3134  -30.1489
            33  C1d C    31.4415  -26.7323
            34  O5x O    18.3192  -32.9043
            35  O7a O    31.4356  -28.1130
            36  C1a C    32.6291  -26.0360
            37  C1a C    32.6291  -27.4226
            38  C7a C    31.4298  -29.4877
            39  C1a C    32.6174  -30.1898
            40  O6a O    30.2247  -30.1781
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 #Up
            32   28  33 1
            33   29  34 2
            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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