KEGG   DRUG: beta-Sitosterol
Entry
D08518                      Drug                                   

Name
beta-Sitosterol;
Harzol (TN)
Formula
C29H50O
Exact mass
414.3862
Mol weight
414.7067
Structure
Simcomp
Remark
Same as: C01753
Efficacy
Antihyperlipidemic
Other DBs
CAS: 83-46-5
PubChem: 96025203
ChEBI: 27693
ChEMBL: CHEMBL1875388 CHEMBL221542
LigandBox: D08518
NIKKAJI: J4.633G
LinkDB
KCF data

ATOM        30
            1   C1y C    17.5216  -18.5772
            2   C1y C    18.6391  -17.8787
            3   C1y C    16.2641  -17.8787
            4   C1x C    17.5215  -19.9743
            5   C1z C    18.6391  -16.4816
            6   C1x C    21.1538  -17.8787
            7   C1z C    15.0766  -18.5772
            8   C1x C    16.2640  -16.4816
            9   C2x C    16.2641  -20.6029
            10  C1y C    19.8965  -15.7831
            11  C1x C    17.4516  -15.7831
            12  C1a C    18.5690  -15.1544
            13  C1x C    21.1539  -16.4816
            14  C2y C    15.0766  -19.9743
            15  C1x C    13.8891  -17.8787
            16  C1a C    15.0765  -17.3199
            17  C1c C    19.8965  -14.4559
            18  C1x C    13.8891  -20.6728
            19  C1x C    12.7016  -18.5772
            20  C1b C    21.0141  -13.7574
            21  C1a C    18.7090  -13.7574
            22  C1y C    12.7016  -19.9743
            23  C1b C    22.2016  -14.4559
            24  O1a O    11.5142  -20.6029
            25  C1c C    23.3891  -13.7574
            26  C1c C    24.5766  -14.4559
            27  C1b C    22.2016  -13.0589
            28  C1a C    25.7641  -13.7574
            29  C1a C    24.5766  -15.9228
            30  C1a C    22.2016  -11.7317
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 1 #Up
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1

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