Mol:FL2FAAGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3184 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3184 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3184 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3184 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1111 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1111 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1111 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1111 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8259 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8259 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5406 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5406 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5406 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5406 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8259 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8259 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2551 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2551 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9836 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9836 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7121 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7121 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7121 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7121 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9836 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9836 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2551 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2551 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8259 -2.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8259 -2.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0332 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0332 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4405 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4405 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6851 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6851 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2120 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2120 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5309 -1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5309 -1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8737 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8737 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3513 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3513 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9472 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9472 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3400 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3400 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9495 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9495 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9136 -1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9136 -1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4961 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4961 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2107 0.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2107 0.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0832 2.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0832 2.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8901 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8901 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3724 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3724 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2459 1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2459 1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4389 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4389 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9564 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9564 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3744 3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3744 3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4188 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4188 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4405 2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4405 2.4406 0.0000 O 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FAAGS0015 | + | ID FL2FAAGS0015 |
| − | FORMULA C26H30O14 | + | FORMULA C26H30O14 |
| − | EXACTMASS 566.163555668 | + | EXACTMASS 566.163555668 |
| − | AVERAGEMASS 566.508 | + | AVERAGEMASS 566.508 |
| − | SMILES C(C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O | + | SMILES C(C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.3184 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3184 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1111 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1111 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8259 -2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5406 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5406 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8259 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2551 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9836 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7121 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7121 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9836 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2551 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8259 -2.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4405 0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6851 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2120 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5309 -1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8737 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3513 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9472 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3400 -1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9495 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9136 -1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4961 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2107 0.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0832 2.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8901 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3724 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2459 1.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4389 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9564 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3744 3.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4188 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4405 2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 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
31 36 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
33 40 1 0 0 0 0
S SKP 5
ID FL2FAAGS0015
FORMULA C26H30O14
EXACTMASS 566.163555668
AVERAGEMASS 566.508
SMILES C(C4c(c5)ccc(c5)O)C(=O)c(c(O4)3)c(O)cc(c3)OC(C1O)OC(COC(O2)C(O)C(C(O)C2)O)C(O)C1O
M END
