KEGG   COMPOUND: C08797Help
Entry
C08797                      Compound                               

Name
Cucurbitacin E
Formula
C32H44O8
Exact mass
556.3036
Mol weight
556.687
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01062  Biosynthesis of terpenoids and steroids
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08797  Cucurbitacin E
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08797  Cucurbitacin E
BRITE hierarchy
Other DBs
CAS: 18444-66-1
PubChem: 10990
ChEBI: 3944
ChEMBL: CHEMBL455056
LIPIDMAPS: LMST01010107
LipidBank: SST0177
KNApSAcK: C00003686
3DMET: B02418
NIKKAJI: J14.209C
KCF data Show

ATOM        40
            1   C1z C    25.4742  -30.1665
            2   C1z C    25.4917  -28.7972
            3   C1y C    24.2864  -30.8453
            4   C1x C    27.8500  -30.1959
            5   C1a C    25.4625  -31.5358
            6   C1y C    26.6853  -28.1244
            7   C1x C    24.3096  -28.0950
            8   C1a C    25.4858  -27.4163
            9   C1z C    23.1043  -30.1548
            10  C1x C    24.2864  -32.2205
            11  C1y C    27.8674  -28.8266
            12  C1d C    26.6796  -26.7434
            13  C5x C    23.1160  -28.7798
            14  C1y C    21.9047  -30.8278
            15  C1a C    23.7226  -31.5941
            16  C2x C    23.0926  -32.9051
            17  O1a O    29.0670  -28.1244
            18  C5a C    27.8674  -26.0587
            19  C1a C    25.4858  -26.0587
            20  O1a O    26.6736  -25.0124
            21  O5x O    21.9281  -28.0716
            22  C2y C    21.8989  -32.2088
            23  C2x C    20.7168  -30.1490
            24  C2b C    29.0670  -26.7375
            25  O5a O    27.8674  -24.6777
            26  C1z C    20.7168  -32.9051
            27  C2y C    19.5173  -30.8278
            28  C2b C    30.2489  -26.0529
            29  C5x C    19.5173  -32.2088
            30  C1a C    21.3898  -34.0989
            31  C1a C    20.0146  -34.0989
            32  O1a O    18.3177  -30.1490
            33  C1d C    31.4427  -26.7317
            34  O5x O    18.3177  -32.9051
            35  O7a O    31.4368  -28.1127
            36  C1a C    32.6306  -27.4222
            37  C1a C    32.6306  -26.0353
            38  C7a C    31.4310  -29.4877
            39  C1a C    32.6189  -30.1899
            40  O6a O    30.2257  -30.1782
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 2
            27   24  28 2
            28   26  29 1
            29   26  30 1
            30   26  31 1
            31   27  32 1
            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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