Mol:BMCCPPBL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 44 0 0 1 0 0 0 0 0999 V2000 | + | 41 44 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.7246 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7246 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.9487 2.0198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.9487 2.0198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
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| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
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| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 31 39 2 0 0 0 0 | + | 31 39 2 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
| − | 29 41 1 0 0 0 0 | + | 29 41 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 27 1 0 0 0 0 | + | 7 27 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 17 33 1 0 0 0 0 | + | 17 33 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 18 34 1 0 0 0 0 | + | 18 34 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPBL0003 | + | ID BMCCPPBL0003 |
| − | NAME D-Urobilinogen | + | NAME D-Urobilinogen |
| − | FORMULA C31H38N4O6 | + | FORMULA C31H38N4O6 |
| − | EXACTMASS 562.2791 | + | EXACTMASS 562.2791 |
| − | AVERAGEMASS 562.6567 | + | AVERAGEMASS 562.6567 |
| − | SMILES [C@H](N4)(C(=C(C)C(=O)4)CC)Cc(c(C)1)nc(Cc(n2)c(CC(O)=O)c(C)c2C[C@@H](N3)C(=C(C(=O)3)C=C)C)c1CC(O)=O | + | SMILES [C@H](N4)(C(=C(C)C(=O)4)CC)Cc(c(C)1)nc(Cc(n2)c(CC(O)=O)c(C)c2C[C@@H](N3)C(=C(C(=O)3)C=C)C)c1CC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05791 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05791 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 44 0 0 1 0 0 0 0 0999 V2000
4.7246 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4156 -3.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2246 -3.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0337 -3.1884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9847 -3.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7279 -2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7060 -3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2060 -2.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5369 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7448 -0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0016 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1062 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1926 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5235 0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3554 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 2.0198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4487 2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 3.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7246 -2.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6233 -1.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0235 0.0123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9706 2.2277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 -3.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2246 -4.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0907 -5.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1127 -3.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2005 -2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6073 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 1.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9722 2.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9847 2.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 2.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 4.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2443 5.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1369 -1.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0195 -0.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1062 3.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8382 3.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6018 -1.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 22 1 0 0 0 0
16 23 1 1 0 0 0
4 20 1 1 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
1 20 1 0 0 0 0
14 15 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
16 15 1 0 0 0 0
1 36 2 0 0 0 0
7 6 2 0 0 0 0
19 37 2 0 0 0 0
12 11 2 0 0 0 0
3 25 1 0 0 0 0
16 17 1 0 0 0 0
25 26 1 0 0 0 0
8 28 1 0 0 0 0
23 19 1 0 0 0 0
28 29 1 0 0 0 0
19 18 1 0 0 0 0
29 38 2 0 0 0 0
21 9 1 0 0 0 0
12 30 1 0 0 0 0
9 8 2 0 0 0 0
30 31 1 0 0 0 0
8 7 1 0 0 0 0
31 39 2 0 0 0 0
6 21 1 0 0 0 0
31 40 1 0 0 0 0
18 17 2 0 0 0 0
29 41 1 0 0 0 0
9 10 1 0 0 0 0
7 27 1 0 0 0 0
10 11 1 0 0 0 0
13 32 1 0 0 0 0
2 1 1 0 0 0 0
17 33 1 0 0 0 0
22 14 1 0 0 0 0
18 34 1 0 0 0 0
14 13 2 0 0 0 0
34 35 2 0 0 0 0
13 12 1 0 0 0 0
2 24 1 0 0 0 0
S SKP 7
ID BMCCPPBL0003
NAME D-Urobilinogen
FORMULA C31H38N4O6
EXACTMASS 562.2791
AVERAGEMASS 562.6567
SMILES [C@H](N4)(C(=C(C)C(=O)4)CC)Cc(c(C)1)nc(Cc(n2)c(CC(O)=O)c(C)c2C[C@@H](N3)C(=C(C(=O)3)C=C)C)c1CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05791
M END
