Mol:FL2FBCGS0001
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 |
| − | 0.1542 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1542 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1542 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1542 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8687 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8687 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5831 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5831 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5831 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5831 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8687 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8687 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2976 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2976 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0121 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0121 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0121 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0121 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2976 0.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2976 0.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7263 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7263 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4545 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4545 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1825 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1825 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1825 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1825 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4545 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4545 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7263 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7263 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2976 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2976 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9106 1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9106 1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5600 0.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 0.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4545 2.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4545 2.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0580 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0580 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6132 -0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6132 -0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9729 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9729 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3055 -0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3055 -0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8040 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8040 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4581 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4581 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3065 -0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3065 -0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4920 -0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4920 -0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0691 0.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0691 0.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3321 2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3321 2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1859 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1859 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4136 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4136 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7797 0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7797 0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9259 1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9259 1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6981 1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6981 1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2593 0.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2593 0.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7527 1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7527 1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9106 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9106 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3082 -1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3082 -1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2257 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2257 -2.2944 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 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 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 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 30 38 1 0 0 0 0 | + | 30 38 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 3 39 1 0 0 0 0 | + | 3 39 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 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 44 0.5605 0.2061 | + | M SBV 1 44 0.5605 0.2061 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FBCGS0001 | + | ID FL2FBCGS0001 |
| − | FORMULA C26H30O14 | + | FORMULA C26H30O14 |
| − | EXACTMASS 566.163555668 | + | EXACTMASS 566.163555668 |
| − | AVERAGEMASS 566.508 | + | AVERAGEMASS 566.508 |
| − | SMILES C(c12)(=O)CC(c(c5)cc(c(c5)O)O)Oc(cc(OC(C(O)3)OCC(OC(C4O)OCC(C4O)O)C3O)cc(OC)2)1 | + | SMILES C(c12)(=O)CC(c(c5)cc(c(c5)O)O)Oc(cc(OC(C(O)3)OCC(OC(C4O)OCC(C4O)O)C3O)cc(OC)2)1 |
M END | M END | ||
| − | |||
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
0.1542 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1542 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8687 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8687 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2976 -1.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0121 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0121 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2976 0.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7263 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4545 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1825 0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1825 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4545 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7263 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2976 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9106 1.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5600 0.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4545 2.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0580 0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6132 -0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9729 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3055 -0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8040 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4581 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3065 -0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4920 -0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 0.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3321 2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1859 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4136 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7797 0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9259 1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6981 1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2593 0.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7527 1.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9106 2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 -1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2257 -2.2944 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 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 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
22 27 1 0 0 0 0
23 28 1 0 0 0 0
19 24 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
29 33 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
30 38 1 0 0 0 0
29 21 1 0 0 0 0
39 40 1 0 0 0 0
3 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 ^ OCH3
M SBV 1 44 0.5605 0.2061
S SKP 5
ID FL2FBCGS0001
FORMULA C26H30O14
EXACTMASS 566.163555668
AVERAGEMASS 566.508
SMILES C(c12)(=O)CC(c(c5)cc(c(c5)O)O)Oc(cc(OC(C(O)3)OCC(OC(C4O)OCC(C4O)O)C3O)cc(OC)2)1
M END
