Mol:FL1AAAGS0004
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 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2454 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2454 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2454 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2454 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5310 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5310 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5310 2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5310 2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8165 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8165 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8165 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8165 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1024 2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1024 2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6140 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6140 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6131 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6131 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1964 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1964 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5544 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5544 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4505 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4505 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8609 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8609 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6859 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6859 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1003 2.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1003 2.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6898 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6898 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8649 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8649 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2966 0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2966 0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8092 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8092 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0381 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0381 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2248 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2248 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7123 0.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7123 0.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4834 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4834 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9063 0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9063 0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5587 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5587 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8447 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8447 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3436 -0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3436 -0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4327 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4327 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5310 0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5310 0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9126 2.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9126 2.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8447 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8447 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7197 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7197 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0019 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0019 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2598 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2598 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4650 -2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4650 -2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1551 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1551 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8972 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8972 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4416 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4416 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7331 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7331 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5036 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5036 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3640 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3640 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 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 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 28 1 0 0 0 0 | + | 36 28 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1AAAGS0004 | + | ID FL1AAAGS0004 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(c(=O)4)(c(oc(=Cc(c5)ccc(O)c5)4)1)c(OC(O3)C(C(C(C3CO)O)O)OC(C2O)OC(C)C(C2O)O)cc(O)c1 | + | SMILES c(c(=O)4)(c(oc(=Cc(c5)ccc(O)c5)4)1)c(OC(O3)C(C(C(C3CO)O)O)OC(C2O)OC(C)C(C2O)O)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-2.2454 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2454 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8165 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8165 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6131 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1964 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4505 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8609 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6859 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1003 2.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6898 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8649 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2966 0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8092 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0381 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2248 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7123 0.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4834 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9063 0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5587 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8447 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3436 -0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4327 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9126 2.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8447 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7197 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0019 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2598 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4650 -2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8972 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4416 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7331 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5036 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3640 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
15 31 1 0 0 0 0
29 21 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 28 1 0 0 0 0
S SKP 5
ID FL1AAAGS0004
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c(=O)4)(c(oc(=Cc(c5)ccc(O)c5)4)1)c(OC(O3)C(C(C(C3CO)O)O)OC(C2O)OC(C)C(C2O)O)cc(O)c1
M END
