Mol:FLIAALNI0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
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| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0016 | + | ID FLIAALNI0016 |
| − | KNApSAcK_ID C00009916 | + | KNApSAcK_ID C00009916 |
| − | NAME Lupinisol C | + | NAME Lupinisol C |
| − | CAS_RN 121748-01-4 | + | CAS_RN 121748-01-4 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c13)c(c(c(O)c(C(=O)C(=CO3)c(c2)c(c(CC(C(C)=C)O)c(c2)O)O)1)CC=C(C)C)O | + | SMILES c(c13)c(c(c(O)c(C(=O)C(=CO3)c(c2)c(c(CC(C(C)=C)O)c(c2)O)O)1)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3394 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6315 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2257 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4504 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2263 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 -0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4135 1.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
16 32 1 0 0 0 0
S SKP 8
ID FLIAALNI0016
KNApSAcK_ID C00009916
NAME Lupinisol C
CAS_RN 121748-01-4
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c13)c(c(c(O)c(C(=O)C(=CO3)c(c2)c(c(CC(C(C)=C)O)c(c2)O)O)1)CC=C(C)C)O
M END
