KEGG   COMPOUND: C08816Help
Entry
C08816                      Compound                               

Name
Cyasterone
Formula
C29H44O8
Exact mass
520.3036
Mol weight
520.6549
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0104 Stigmasterols and C24-ethyl derivatives
    C08816  Cyasterone
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Stigmastane
    C08816  Cyasterone
BRITE hierarchy
Other DBs
CAS: 17086-76-9
PubChem: 11009
ChEBI: 29012
ChEMBL: CHEMBL1736717 CHEMBL494249
LIPIDMAPS: LMST01040153
KNApSAcK: C00003649
3DMET: B02434
NIKKAJI: J14.927F
KCF data Show

ATOM        37
            1   C1z C    22.2296  -19.7846
            2   C2y C    21.0319  -20.4748
            3   C1z C    22.2471  -18.4172
            4   C1x C    24.6089  -19.8197
            5   O1a O    22.2122  -21.1638
            6   C1y C    19.8514  -19.7729
            7   C2x C    21.0319  -21.8540
            8   C1y C    23.4404  -17.7517
            9   C1x C    21.0552  -17.7224
            10  C1a C    22.2354  -17.0382
            11  C1x C    24.6206  -18.4465
            12  C1z C    18.6537  -20.4572
            13  C1x C    19.8631  -18.3997
            14  C5x C    19.8399  -22.5313
            15  C1d C    23.4521  -16.3783
            16  C1y C    18.6479  -21.8423
            17  C1x C    17.4618  -19.7670
            18  C1a C    18.6420  -19.0782
            19  O5x O    19.8339  -23.9044
            20  C1c C    24.6440  -15.6881
            21  C1a C    22.2471  -15.6822
            22  O1a O    23.4404  -14.9992
            23  C1x C    17.4618  -22.5253
            24  C1y C    16.2697  -20.4572
            25  C1b C    25.8301  -16.3841
            26  O1a O    24.6323  -14.3149
            27  C1y C    16.2697  -21.8423
            28  O1a O    15.0778  -19.7670
            29  C1y C    27.0163  -15.7056
            30  O1a O    15.0778  -22.5253
            31  C1y C    28.3368  -16.0566
            32  C1y C    26.9403  -14.3383
            33  C7x C    29.0845  -14.9115
            34  O7x O    28.2199  -13.8541
            35  O6a O    30.4706  -14.9057
            36  C1a C    28.8380  -17.3560
            37  C1a C    25.7733  -13.5838
BOND        41
            1     1   3 1
            2     1   4 1
            3     1   5 1 #Down
            4     2   6 1
            5     2   7 2
            6     3   8 1
            7     3   9 1
            8     3  10 1 #Up
            9     4  11 1
            10    6  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   14  19 2
            18   15  20 1
            19   15  21 1 #Down
            20   15  22 1 #Up
            21   16  23 1
            22   17  24 1
            23   20  25 1
            24   20  26 1 #Down
            25   23  27 1
            26   24  28 1 #Up
            27   25  29 1
            28   27  30 1 #Up
            29   29  31 1
            30   29  32 1
            31   31  33 1
            32   32  34 1
            33   33  35 2
            34    8  11 1
            35    9  13 1
            36   14  16 1
            37   24  27 1
            38   33  34 1
            39   31  36 1 #Up
            40    1   2 1
            41   32  37 1 #Up

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