KEGG   COMPOUND: C08803Help
Entry
C08803                      Compound                               

Name
Cucurbitacin O
Formula
C30H46O7
Exact mass
518.3244
Mol weight
518.682
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C08803  Cucurbitacin O
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Cucurbitanes
    C08803  Cucurbitacin O
BRITE hierarchy
Other DBs
CAS: 25383-23-7
PubChem: 10996
ChEBI: 3950
LIPIDMAPS: LMST01010113
KNApSAcK: C00003691
3DMET: B02422
NIKKAJI: J16.895E
KCF data Show

ATOM        37
            1   C1z C    25.4637  -30.2011
            2   C1z C    25.4813  -28.8327
            3   C1y C    24.2766  -30.8795
            4   C1x C    27.8378  -30.1605
            5   C1a C    25.4520  -31.5754
            6   C1y C    26.6801  -28.1603
            7   C1x C    24.3000  -28.1310
            8   C1a C    25.4696  -27.4527
            9   C1z C    23.0895  -30.1837
            10  C1x C    24.2766  -32.2538
            11  C1y C    27.8555  -28.8621
            12  C1d C    26.6742  -26.7802
            13  C5x C    23.1012  -28.8153
            14  C1y C    21.8966  -30.8678
            15  C1a C    23.7078  -31.5578
            16  C2x C    23.0778  -32.9438
            17  O1a O    29.1828  -28.4936
            18  C5a C    27.8555  -26.0960
            19  C1a C    25.4696  -26.0960
            20  O1a O    26.6684  -25.1259
            21  O5x O    21.9141  -28.1076
            22  C2y C    21.8907  -32.2421
            23  C1x C    20.7036  -30.1837
            24  C2b C    29.0483  -26.7743
            25  O5a O    27.8495  -24.7218
            26  C1z C    20.7036  -32.9379
            27  C1y C    19.5107  -30.8678
            28  C2b C    30.2354  -26.0902
            29  C1y C    19.5107  -32.2421
            30  C1a C    20.0018  -34.1250
            31  C1a C    21.3819  -34.1250
            32  O1a O    18.3177  -30.1837
            33  C1d C    31.4225  -26.7685
            34  O1a O    18.3177  -32.9379
            35  C1a C    32.6156  -27.4586
            36  C1a C    32.6156  -26.0785
            37  O1a O    31.4225  -28.1369
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 #Down
            32   28  33 1
            33   29  34 1 #Down
            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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