KEGG   COMPOUND: C08800
Entry
C08800                      Compound                               
Name
Cucurbitacin I
Formula
C30H42O7
Exact mass
514.2931
Mol weight
514.6503
Structure
Reaction
Pathway
map00996  Biosynthesis of various alkaloids
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08800  Cucurbitacin I
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08800  Cucurbitacin I
Other DBs
CAS: 2222-07-3
PubChem: 10993
ChEBI: 3947
LIPIDMAPS: LMST01010110
LipidBank: SST0176
KNApSAcK: C00003689
3DMET: B02420
NIKKAJI: J7.369E
LinkDB
KCF data

ATOM        37
            1   C1z C    25.4636  -30.2069
            2   C1z C    25.4812  -28.8388
            3   C1y C    24.2767  -30.8851
            4   C1x C    27.8373  -30.2361
            5   C1a C    25.4461  -31.5750
            6   C1y C    26.6797  -28.1606
            7   C1x C    24.3001  -28.1372
            8   C1a C    25.4695  -27.4590
            9   C1z C    23.0841  -30.1893
            10  C1x C    24.2767  -32.2590
            11  C1y C    27.8549  -28.8680
            12  C1d C    26.6855  -26.7865
            13  C5x C    23.0958  -28.8154
            14  C1y C    21.8913  -30.8734
            15  C1a C    23.7024  -31.5633
            16  C2x C    23.0724  -32.9431
            17  O1a O    29.0417  -28.1664
            18  C5a C    27.8724  -26.1083
            19  C1a C    25.4812  -26.1026
            20  O1a O    26.6797  -25.0627
            21  O5x O    21.9147  -28.1138
            22  C2y C    21.8855  -32.2473
            23  C2x C    20.7044  -30.1835
            24  C2b C    29.0651  -26.7925
            25  O5a O    27.8724  -24.7345
            26  C1z C    20.7044  -32.9431
            27  C2y C    19.5059  -30.8734
            28  C2b C    30.2518  -26.1143
            29  C5x C    19.5059  -32.2473
            30  C1a C    20.0028  -34.1300
            31  C1a C    21.3769  -34.1300
            32  O1a O    18.3190  -30.1835
            33  C1d C    31.4387  -26.8042
            34  O5x O    18.3190  -32.9431
            35  C1a C    32.6315  -27.4941
            36  C1a C    32.6315  -26.1083
            37  O1a O    31.4329  -28.1780
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 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    6  11 1
            38    9  13 1
            39   16  22 2
            40   27  29 1

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