| Entry |
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| Name |
16alpha,17beta-Estriol 3-(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
C11288 16alpha,17beta-Estriol 3-(beta-D-glucuronide)
ST05 Steroid conjugates
ST0501 Glucuronides
C11288 16alpha,17beta-Estriol 3-(beta-D-glucuronide)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 33
1 O2a O 26.2124 -19.1015
2 C1y C 25.0073 -19.7880
3 O2x O 23.8102 -19.0877
4 C1y C 22.6050 -19.7742
5 C1y C 22.5971 -21.1613
6 C1y C 23.7944 -21.8617
7 C1y C 24.9994 -21.1749
8 C6a C 21.3990 -19.0804
9 O1a O 21.3851 -21.8408
10 O1a O 23.7813 -23.2422
11 O1a O 26.1914 -21.8618
12 O6a O 20.1939 -19.7670
13 O6a O 21.3920 -17.6932
14 C1z C 33.0250 -15.2133
15 C1y C 33.0250 -16.6005
16 C1x C 35.4265 -16.6005
17 C1y C 35.4265 -15.2133
18 C1y C 34.2291 -14.5196
19 C8x C 27.0111 -17.2657
20 C8y C 27.0111 -18.6530
21 C8x C 28.2155 -19.3466
22 C8x C 28.2155 -16.5721
23 C8y C 29.4127 -17.2657
24 C8y C 29.4068 -18.6530
25 C1x C 30.6052 -19.3517
26 C1x C 31.8096 -18.6632
27 C1y C 30.6170 -16.5773
28 C1y C 31.8096 -17.2788
29 C1x C 31.8323 -14.5117
30 C1x C 30.5585 -15.1936
31 C1a C 33.0155 -13.8257
32 O1a O 36.6239 -14.5122
33 O1a O 34.2207 -13.1320
BOND 37
1 15 16 1
2 5 9 1 #Down
3 2 3 1
4 6 10 1 #Up
5 3 4 1
6 19 20 2
7 20 21 1
8 21 24 2
9 23 22 2
10 22 19 1
11 7 11 1 #Down
12 4 5 1
13 8 12 2
14 5 6 1
15 23 24 1
16 24 25 1
17 25 26 1
18 26 28 1
19 27 23 1
20 8 13 1
21 6 7 1
22 7 2 1
23 2 1 1 #Up
24 27 28 1
25 28 15 1
26 14 29 1
27 29 30 1
28 30 27 1
29 4 8 1 #Up
30 14 31 1 #Up
31 20 1 1
32 14 15 1
33 16 17 1
34 17 18 1
35 17 32 1 #Down
36 18 14 1
37 18 33 1 #Up
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