Mol:FL3FA9GS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0461 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0461 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0461 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0461 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6550 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6550 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3562 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3562 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3562 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3562 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6550 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6550 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0574 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0574 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7585 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7585 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7585 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7585 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0574 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0574 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0587 -1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0587 -1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4595 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4595 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1739 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1739 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8886 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8886 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8886 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8886 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1739 1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1739 1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4595 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4595 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6550 -1.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6550 -1.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7471 0.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7471 0.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9507 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9507 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4351 -0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4351 -0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4494 0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4494 0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5463 0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5463 0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2027 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2027 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0212 0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0212 0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8510 0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8510 0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3145 -0.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3145 -0.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5406 -0.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5406 -0.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8488 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8488 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8886 1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8886 1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3288 1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3288 1.9555 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 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 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 3 29 30 31 | + | M SAL 1 3 29 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^COOH | + | M SMT 1 ^COOH |
| − | M SBV 1 34 0.8276 -0.6937 | + | M SBV 1 34 0.8276 -0.6937 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FA9GS0004 | + | ID FL3FA9GS0004 |
| − | FORMULA C21H18O10 | + | FORMULA C21H18O10 |
| − | EXACTMASS 430.089996796 | + | EXACTMASS 430.089996796 |
| − | AVERAGEMASS 430.36162 | + | AVERAGEMASS 430.36162 |
| − | SMILES C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)cccc2)1)(O)C(O)C(C(C(O)=O)O1)O | + | SMILES C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)cccc2)1)(O)C(O)C(C(C(O)=O)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.0461 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6550 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3562 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3562 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6550 0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7585 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7585 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 -1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1739 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8886 0.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8886 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1739 1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6550 -1.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7471 0.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9507 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4351 -0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4494 0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5463 0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2027 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0212 0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8510 0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3145 -0.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 -0.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8488 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8886 1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3288 1.9555 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 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
9 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
25 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 29 30 31
M SBL 1 1 34
M SMT 1 ^COOH
M SBV 1 34 0.8276 -0.6937
S SKP 5
ID FL3FA9GS0004
FORMULA C21H18O10
EXACTMASS 430.089996796
AVERAGEMASS 430.36162
SMILES C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)cccc2)1)(O)C(O)C(C(C(O)=O)O1)O
M END
