Mol:FL3FCACS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4879 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4879 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4879 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0591 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0591 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0591 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0591 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6554 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6554 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3698 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3698 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3698 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3698 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6554 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6554 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6554 -2.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6554 -2.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2382 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2382 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1065 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1065 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9289 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9289 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0623 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0623 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3731 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3731 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6299 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6299 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5190 2.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5190 2.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9899 2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9899 2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4239 0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4239 0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7735 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7735 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1634 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1634 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9163 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9163 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6691 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6691 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6691 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6691 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9163 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9163 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1634 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1634 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1550 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1550 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6785 -2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6785 -2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9920 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9920 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3296 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3296 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8110 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8110 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4115 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4115 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1537 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1537 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4215 -2.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4215 -2.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5987 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5987 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4215 0.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4215 0.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9467 -0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9467 -0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5887 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5887 1.0058 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 |
| − | 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 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 12 13 1 1 0 0 0 | + | 12 13 1 1 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 15 14 1 1 0 0 0 | + | 15 14 1 1 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 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 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 2 1 0 0 0 0 | + | 31 2 1 0 0 0 0 |
| − | 25 37 1 0 0 0 0 | + | 25 37 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 1 38 1 0 0 0 0 | + | 1 38 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 43 0.4587 -0.7947 | + | M SBV 1 43 0.4587 -0.7947 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FCACS0007 | + | ID FL3FCACS0007 |
| − | FORMULA C26H28O13 | + | FORMULA C26H28O13 |
| − | EXACTMASS 548.152990982 | + | EXACTMASS 548.152990982 |
| − | AVERAGEMASS 548.49272 | + | AVERAGEMASS 548.49272 |
| − | SMILES C(O1)C(C(C(O)C1c(c3O)c(OC)c(c(O4)c(C(=O)C=C4c(c5)ccc(O)c5)3)C(O2)C(O)C(C(O)C2)O)O)O | + | SMILES C(O1)C(C(C(O)C1c(c3O)c(OC)c(c(O4)c(C(=O)C=C4c(c5)ccc(O)c5)3)C(O2)C(O)C(C(O)C2)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.4879 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0591 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 -1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3698 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6554 -2.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2382 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9289 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0623 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 0.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6299 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5190 2.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9899 2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4239 0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7735 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6691 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6691 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1550 -1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6785 -2.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9920 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3296 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8110 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4115 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1537 -1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4215 -2.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 -2.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4215 0.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9467 -0.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5887 1.0058 0.0000 C 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
12 13 1 1 0 0 0
13 14 1 1 0 0 0
15 14 1 1 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
12 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
6 15 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
22 9 1 0 0 0 0
28 29 1 1 0 0 0
29 30 1 1 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 2 1 0 0 0 0
25 37 1 0 0 0 0
38 39 1 0 0 0 0
1 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 ^ OCH3
M SBV 1 43 0.4587 -0.7947
S SKP 5
ID FL3FCACS0007
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(O1)C(C(C(O)C1c(c3O)c(OC)c(c(O4)c(C(=O)C=C4c(c5)ccc(O)c5)3)C(O2)C(O)C(C(O)C2)O)O)O
M END
