KEGG   COMPOUND: C08980Help
Entry
C08980                      Compound                               

Name
Soyasapogenol B;
24-Hydroxysophoradiol
Formula
C30H50O3
Exact mass
458.376
Mol weight
458.7162
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08980  Soyasapogenol B
BRITE hierarchy
Other DBs
CAS: 595-15-3
PubChem: 11172
ChEBI: 9209
ChEMBL: CHEMBL153969 CHEMBL1762007
KNApSAcK: C00000256
3DMET: B02582
NIKKAJI: J16.224H
KCF data Show

ATOM        33
            1   C1z C    22.7891  -19.5233
            2   C1z C    24.0041  -18.8341
            3   C1y C    21.5801  -18.8167
            4   C1x C    22.7891  -20.9251
            5   C1a C    23.4017  -18.1158
            6   C2y C    24.0157  -17.4383
            7   C1x C    25.2014  -19.5409
            8   C1a C    23.9864  -20.2301
            9   C1z C    20.3595  -19.5116
            10  C1x C    21.5918  -17.4206
            11  C1x C    21.5686  -21.6260
            12  C1y C    25.2365  -16.7491
            13  C2x C    22.8125  -16.7257
            14  C1x C    26.4921  -18.8634
            15  C1y C    20.3536  -20.9193
            16  C1x C    19.1446  -18.8107
            17  C1a C    20.3478  -18.1098
            18  C1z C    26.4338  -17.4674
            19  C1x C    25.2539  -15.3530
            20  C1z C    19.1446  -21.6202
            21  C1x C    17.9298  -19.5116
            22  C1y C    27.6486  -16.7841
            23  C1a C    27.6369  -18.1625
            24  C1z C    26.4746  -14.6755
            25  C1y C    17.9298  -20.9193
            26  C1b C    19.6467  -22.9753
            27  C1a C    18.4320  -22.8350
            28  C1x C    27.6662  -15.3881
            29  O1a O    28.8576  -17.2984
            30  C1a C    27.1638  -13.4550
            31  C1a C    25.7620  -13.4550
            32  O1a O    16.7148  -21.6260
            33  O1a O    20.9845  -23.6775
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Up
            26   20  27 1 #Down
            27   22  28 1
            28   22  29 1 #Up
            29   24  30 1
            30   24  31 1
            31   25  32 1 #Up
            32   10  13 1
            33   11  15 1
            34   14  18 1
            35   21  25 1
            36   24  28 1
            37   26  33 1

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