| | COMPOUND: C04859 | |
Entry |
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Name |
Nuatigenin 3beta-D-glucopyranoside;
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
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Formula |
C33H52O9
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Exact mass |
592.3611
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Mol weight |
592.7606
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Structure |
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Reaction |
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Enzyme |
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Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0109 Furospirostanols and derivatives
C04859 Nuatigenin 3beta-D-glucopyranoside
Glycosides [BR:br08021]
O-glycosides
Saponins
Steroid
C04859 (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
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Other DBs |
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KCF data |
ATOM 42
1 O2a O 18.9700 -19.9873
2 C1y C 17.7564 -20.6699
3 O2x O 16.5428 -19.9756
4 C1y C 17.7564 -22.0703
5 C1y C 15.3290 -20.6758
6 C1y C 16.5428 -22.7706
7 O1a O 18.9643 -22.7706
8 C1y C 15.3290 -22.0761
9 C1b C 14.1154 -19.9756
10 O1a O 16.5486 -24.1710
11 O1a O 14.1211 -22.7763
12 O1a O 12.9016 -20.6641
13 C1a C 29.7221 -10.8856
14 C1z C 30.4076 -12.0689
15 C1b C 31.0846 -10.8856
16 O1a O 32.2847 -10.1857
17 O2x O 29.2239 -12.7529
18 C1z C 29.2239 -14.1136
19 C1x C 31.5843 -14.1136
20 C1x C 31.5843 -12.7529
21 C1y C 26.9591 -14.1193
22 O2x O 29.1551 -15.4379
23 C1y C 26.9534 -15.4321
24 C1a C 26.0293 -13.1836
25 C1y C 28.0979 -16.1007
26 C1z C 25.8145 -16.0716
27 C1x C 28.0629 -17.3376
28 C1y C 25.7971 -17.3783
29 C1x C 24.6874 -15.4030
30 C1a C 25.8088 -14.7590
31 C1y C 24.6640 -18.0294
32 C1x C 23.5428 -16.0542
33 C1y C 23.5369 -17.3666
34 C1x C 24.6640 -19.3422
35 C1z C 22.3923 -18.0120
36 C2x C 23.5194 -19.9932
37 C2y C 22.3865 -19.3305
38 C1x C 21.2535 -17.3609
39 C1a C 22.3806 -16.7051
40 C1x C 21.2535 -19.9873
41 C1x C 20.1087 -18.0120
42 C1y C 20.1087 -19.3305
BOND 48
1 6 10 1 #Up
2 8 11 1 #Down
3 9 12 1
4 6 8 1
5 2 1 1 #Up
6 2 3 1
7 2 4 1
8 3 5 1
9 4 6 1
10 4 7 1 #Down
11 5 8 1
12 5 9 1 #Up
13 14 13 1 #Up
14 14 15 1 #Down
15 15 16 1
16 18 17 1 #Down
17 19 20 1
18 20 14 1
19 18 21 1
20 18 22 1
21 21 23 1
22 21 24 1 #Down
23 22 25 1
24 23 26 1
25 25 27 1
26 26 28 1
27 26 29 1
28 26 30 1 #Up
29 28 31 1
30 29 32 1
31 31 33 1
32 31 34 1
33 33 35 1
34 34 36 1
35 35 37 1
36 35 38 1
37 35 39 1 #Up
38 37 40 1
39 38 41 1
40 40 42 1
41 42 1 1 #Up
42 23 25 1
43 27 28 1
44 32 33 1
45 36 37 2
46 41 42 1
47 14 17 1
48 18 19 1 #Up
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