Mol:LBGPEc-p:16000SC01::YS2ANe005: Difference between revisions
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33 32 0 0 0 0 0 0 0 0999 V2000 | 33 32 0 0 0 0 0 0 0 0999 V2000 | ||
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1.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 1.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 1.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
-1.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | -1.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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6.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 6.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 7.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
8.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 8.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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11.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 11.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
12.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 12.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
13.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 13.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
14.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 14.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 15.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
16.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 16.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
4.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 4.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
4.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 4.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
5.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 5.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
6.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | 6.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | ||
7.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 7.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
1 2 1 0 0 0 0 | 1 2 1 0 0 0 0 | ||
1 3 1 0 0 0 0 | 1 3 1 0 0 0 0 | ||
2 4 1 0 0 0 0 | 2 4 1 0 0 0 0 | ||
1 5 1 1 0 0 0 | 1 5 1 1 0 0 0 | ||
3 6 1 0 0 0 0 | 3 6 1 0 0 0 0 | ||
1 7 1 1 0 0 0 | 1 7 1 1 0 0 0 | ||
4 8 1 0 0 0 0 | 4 8 1 0 0 0 0 | ||
8 9 1 0 0 0 0 | 8 9 1 0 0 0 0 | ||
9 10 1 0 0 0 0 | 9 10 1 0 0 0 0 | ||
10 11 1 0 0 0 0 | 10 11 1 0 0 0 0 | ||
11 12 1 0 0 0 0 | 11 12 1 0 0 0 0 | ||
12 13 1 0 0 0 0 | 12 13 1 0 0 0 0 | ||
13 14 1 0 0 0 0 | 13 14 1 0 0 0 0 | ||
14 15 1 0 0 0 0 | 14 15 1 0 0 0 0 | ||
15 16 1 0 0 0 0 | 15 16 1 0 0 0 0 | ||
16 17 1 0 0 0 0 | 16 17 1 0 0 0 0 | ||
17 18 1 0 0 0 0 | 17 18 1 0 0 0 0 | ||
18 19 1 0 0 0 0 | 18 19 1 0 0 0 0 | ||
19 20 1 0 0 0 0 | 19 20 1 0 0 0 0 | ||
20 21 1 0 0 0 0 | 20 21 1 0 0 0 0 | ||
21 22 1 0 0 0 0 | 21 22 1 0 0 0 0 | ||
22 23 1 0 0 0 0 | 22 23 1 0 0 0 0 | ||
8 24 2 0 0 0 0 | 8 24 2 0 0 0 0 | ||
6 25 1 0 0 0 0 | 6 25 1 0 0 0 0 | ||
25 26 2 0 0 0 0 | 25 26 2 0 0 0 0 | ||
25 27 1 0 0 0 0 | 25 27 1 0 0 0 0 | ||
25 28 1 0 0 0 0 | 25 28 1 0 0 0 0 | ||
27 29 1 0 0 0 0 | 27 29 1 0 0 0 0 | ||
29 30 2 0 0 0 0 | 29 30 2 0 0 0 0 | ||
29 31 1 0 0 0 0 | 29 31 1 0 0 0 0 | ||
31 32 1 0 0 0 0 | 31 32 1 0 0 0 0 | ||
32 33 1 0 0 0 0 | 32 33 1 0 0 0 0 | ||
S SKP 5 | |||
ID LBGPEc-p:16000SC01::YS2ANe005 | |||
FORMULA C22H44NO8P | |||
EXACTMASS 481.28045389899995 | |||
AVERAGEMASS 481.56046100000003 | |||
SMILES CCCCCCCCCCCCCCCC(=O)OCC([H])(O)COP(O)(=O)OC(=O)CNC | |||
M END | M END | ||
Latest revision as of 05:25, 20 May 2013
33 32 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 1 5 1 1 0 0 0 3 6 1 0 0 0 0 1 7 1 1 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 2 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0
S SKP 5 ID LBGPEc-p:16000SC01::YS2ANe005 FORMULA C22H44NO8P EXACTMASS 481.28045389899995 AVERAGEMASS 481.56046100000003 SMILES CCCCCCCCCCCCCCCC(=O)OCC([H])(O)COP(O)(=O)OC(=O)CNC M END
