| | COMPOUND: C01443 | |
Entry |
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Name |
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Formula |
C29H44O12
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Exact mass |
584.2833
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Mol weight |
584.6525
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Structure |
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Pathway |
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Brite |
Compounds with biological roles [BR:br08001]
Steroids
23-Carbon atoms
Cardanolide derivatives
C01443 Ouabain
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C01443 Ouabain
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C01443 Ouabain
Natural toxins [BR:br08009]
Phytotoxins
Glycosides
Cardiac glycosides
C01443 Ouabain
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C01443 Ouabain
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Other DBs |
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KCF data |
ATOM 41
1 C1x C 22.9600 -20.1600
2 C1y C 22.9600 -21.5600
3 C1x C 24.1500 -22.2600
4 C1z C 25.4100 -21.5600
5 C1z C 25.4100 -20.1600
6 C1y C 24.1500 -19.4600
7 C1x C 26.5300 -22.2600
8 C1x C 27.7200 -21.5600
9 C1y C 27.7200 -20.1600
10 C1y C 26.5300 -19.4600
11 C1z C 28.9800 -19.4600
12 C1z C 28.9800 -18.0600
13 C1x C 27.7200 -17.4300
14 C1y C 26.5300 -18.0600
15 O2a O 21.7700 -22.2600
16 O1a O 25.4100 -22.9600
17 O1a O 24.1500 -18.0600
18 O1a O 28.9800 -20.8600
19 C1a C 28.9800 -16.7300
20 O1a O 25.4100 -17.4300
21 C1b C 25.4100 -18.5500
22 C1y C 20.5800 -21.5600
23 O2x O 20.5800 -20.1600
24 C1y C 19.3900 -19.4600
25 C1y C 18.2000 -20.1600
26 C1y C 18.2000 -21.5600
27 C1y C 19.3900 -22.2600
28 O1a O 17.0100 -19.4600
29 O1a O 17.0100 -22.2600
30 O1a O 19.3900 -23.5900
31 C1a C 19.3900 -18.0600
32 O1a O 24.2200 -16.9400
33 C1x C 31.4300 -19.4600
34 C1x C 31.4300 -18.0600
35 C1y C 30.1700 -17.3600
36 C2y C 30.1700 -15.9600
37 C2x C 31.4981 -15.9506
38 C7x C 31.9531 -14.5528
39 O7x O 30.8850 -13.7634
40 C1x C 29.7179 -14.6350
41 O6a O 33.2564 -14.1672
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 1 #Up
18 4 16 1 #Up
19 6 17 1 #Up
20 11 18 1 #Up
21 12 19 1 #Up
22 14 20 1 #Down
23 5 21 1 #Up
24 22 15 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 25 28 1 #Up
32 26 29 1 #Down
33 27 30 1 #Down
34 24 31 1 #Down
35 21 32 1
36 11 33 1
37 33 34 1
38 34 35 1
39 12 35 1
40 36 37 2
41 37 38 1
42 38 39 1
43 39 40 1
44 36 40 1
45 38 41 2
46 35 36 1
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