Entry |
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Name |
16alpha,17beta-Estriol 17-(beta-D-glucuronide)
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Formula |
C24H32O9
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Exact mass |
464.2046
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Mol weight |
464.5055
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Structure |
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Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C11346 16alpha,17beta-Estriol 17-(beta-D-glucuronide)
ST05 Steroid conjugates
ST0501 Glucuronides
C11346 16alpha,17beta-Estriol 17-(beta-D-glucuronide)
Glycosides [BR:br08021]
O-glycosides
Saponins
Steroid
C11346 16alpha,17beta-Estriol 17-(beta-D-glucuronide)
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Other DBs |
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LinkDB |
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KCF data |
ATOM 33
1 C1y C 29.6304 -18.2581
2 C1y C 29.6304 -19.6173
3 O2x O 30.8197 -20.2932
4 C1y C 31.9879 -19.6173
5 C1y C 31.9879 -18.2581
6 C1y C 30.8197 -17.5750
7 O1a O 30.8214 -16.2087
8 C6a C 33.1677 -20.2923
9 O1a O 33.1677 -17.5760
10 O1a O 28.4583 -17.5745
11 O2a O 28.3809 -20.2727
12 O6a O 34.3466 -19.6154
13 O6a O 33.1687 -21.6515
14 C1z C 27.1933 -22.3436
15 C1y C 27.1933 -23.7239
16 C1x C 29.5788 -23.7239
17 C1y C 29.5788 -22.3436
18 C1y C 28.3893 -21.6535
19 C8x C 21.2051 -24.3854
20 C8y C 21.2051 -25.7657
21 C8x C 22.4084 -26.4557
22 C8x C 22.4084 -23.6953
23 C8y C 23.5978 -24.3854
24 C8y C 23.5918 -25.7657
25 C1x C 24.7823 -26.4608
26 C1x C 25.9857 -25.7760
27 C1y C 24.7942 -23.7004
28 C1y C 25.9857 -24.3986
29 C1x C 26.0085 -21.6454
30 C1x C 24.8057 -22.3238
31 O1a O 20.0078 -26.4486
32 C1a C 27.1840 -20.9628
33 O1a O 30.7752 -21.6461
BOND 37
1 8 13 2
2 1 2 1
3 4 8 1 #Up
4 2 3 1
5 5 9 1 #Down
6 3 4 1
7 1 10 1 #Down
8 4 5 1
9 2 11 1 #Up
10 5 6 1
11 6 1 1
12 6 7 1 #Up
13 17 18 1
14 18 14 1
15 15 16 1
16 19 20 2
17 20 21 1
18 21 24 2
19 23 22 2
20 22 19 1
21 23 24 1
22 24 25 1
23 25 26 1
24 26 28 1
25 27 23 1
26 27 28 1
27 28 15 1
28 14 29 1
29 29 30 1
30 30 27 1
31 14 15 1
32 16 17 1
33 20 31 1
34 14 32 1 #Up
35 18 11 1 #Up
36 8 12 1
37 17 33 1 #Down
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