| Entry |
|
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| Name |
Soyasapogenol B;
24-Hydroxysophoradiol
|
|---|
| Formula |
C30H50O3
|
|---|
| Exact mass |
458.376
|
|---|
| Mol weight |
458.7162
|
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| Structure |
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| Reaction |
|
|---|
| Enzyme |
|
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Dammarenes
C08980 Soyasapogenol B
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
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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