KEGG   COMPOUND: C08796Help
Entry
C08796                      Compound                               

Name
Cucurbitacin D
Formula
C30H44O7
Exact mass
516.3087
Mol weight
516.6662
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08796  Cucurbitacin D
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08796  Cucurbitacin D
BRITE hierarchy
Other DBs
CAS: 3877-86-9
PubChem: 10989
ChEBI: 3943
ChEMBL: CHEMBL493646
LIPIDMAPS: LMST01010106
LipidBank: SST0174
KNApSAcK: C00003685
3DMET: B02417
NIKKAJI: J8.271F
KCF data Show

ATOM        37
            1   C1z C    25.4695  -30.2126
            2   C1z C    25.4869  -28.8388
            3   C1y C    24.2827  -30.8908
            4   C1x C    27.8430  -30.2419
            5   C1a C    25.4518  -31.5806
            6   C1y C    26.6854  -28.1664
            7   C1x C    24.3061  -28.1430
            8   C1a C    25.4752  -27.4649
            9   C1z C    23.0900  -30.1951
            10  C1x C    24.2827  -32.2647
            11  C1y C    27.8605  -28.8680
            12  C1d C    26.6796  -26.7927
            13  C5x C    23.1017  -28.8212
            14  C1y C    21.8974  -30.8733
            15  C1a C    23.7083  -31.6389
            16  C2x C    23.0783  -32.9486
            17  O1a O    29.0532  -28.1724
            18  C5a C    27.8547  -26.1086
            19  C1a C    25.4752  -26.1086
            20  O1a O    26.6679  -25.1330
            21  O5x O    21.9208  -28.1196
            22  C2y C    21.8915  -32.2530
            23  C1x C    20.7047  -30.1892
            24  C2b C    29.0532  -26.7867
            25  O5a O    27.8488  -24.7289
            26  C1z C    20.7047  -32.9428
            27  C1y C    19.5122  -30.8733
            28  C2b C    30.2399  -26.0969
            29  C5x C    19.5122  -32.2530
            30  C1a C    20.0091  -34.1296
            31  C1a C    21.3829  -34.1296
            32  O1a O    18.3195  -30.1892
            33  C1d C    31.4267  -26.7750
            34  O5x O    18.3254  -32.9428
            35  C1a C    32.6192  -26.0852
            36  C1a C    32.6192  -27.4708
            37  O1a O    31.4150  -28.1547
BOND        40
            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    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1

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