| | COMPOUND: C02493 | |
Entry |
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Name |
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Formula |
C12H22O11(C6H10O5)n
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Structure |
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Other DBs |
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KCF data |
ATOM 34
1 C1y C -0.5828 0.4552
2 O2x O 0.1345 0.8690
3 C1b C -1.2966 0.8690
4 C1y C -0.5828 -0.3690
5 C1y C 0.8483 0.4552
6 O2a O -2.3103 0.4552
7 C1y C 0.1345 -0.7828
8 O1a O -1.2966 -0.7828
9 O2a O 1.5621 0.8655
10 C1y C 0.8483 -0.3690
11 C1y C -3.0241 0.0448
12 O1a O 0.1345 -1.6069
13 C1b C 2.6207 1.2793
14 O1a O 1.5621 -0.7828
15 O2x O -3.7379 0.4552
16 C1y C -3.0241 -0.7828
17 C1y C 3.3379 0.8655
18 C1y C -4.4517 0.0448
19 C1y C -3.7379 -1.1931
20 O1a O -2.3103 -1.1931
21 C1y C 3.3379 0.0414
22 O2x O 4.0517 1.2793
23 C1y C -4.4517 -0.7828
24 C1b C -5.1690 0.4552
25 O1a O -3.7345 -2.0172
26 C1y C 4.0517 -0.3724
27 O1a O 2.6207 -0.3724
28 C1y C 4.7655 0.8655
29 O1a O -5.1690 -1.1931
30 O1a O -5.8828 0.0448
31 C1y C 4.7655 0.0414
32 O1a O 4.0552 -1.1966
33 O1a O 5.4793 1.2793
34 O1a O 5.4793 -0.3724
BOND 36
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1 #Up
9 5 10 1
10 11 6 1 #Up
11 7 12 1 #Up
12 9 13 1
13 10 14 1 #Down
14 11 15 1
15 11 16 1
16 17 13 1 #Up
17 15 18 1
18 16 19 1
19 16 20 1 #Down
20 17 21 1
21 17 22 1
22 18 23 1
23 18 24 1 #Up
24 19 25 1 #Up
25 21 26 1
26 21 27 1 #Down
27 22 28 1
28 23 29 1 #Down
29 24 30 1
30 26 31 1
31 26 32 1 #Up
32 28 33 1 #Up
33 31 34 1 #Down
34 7 10 1
35 19 23 1
36 28 31 1
BRACKET 1 -1.7000 0.2483 -1.7000 1.0897
1 2.1724 1.5000 2.1724 0.6690
1 n
ORIGINAL 1 1 2 3 4 5 7 8 9 10 12 14
REPEAT 1
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