Mol:FL2FA9GS0001
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 |
| − | -0.1404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5549 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5549 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2500 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2500 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2500 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2500 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5549 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5549 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9453 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9453 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9453 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9453 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3352 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3352 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0497 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0497 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7642 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7642 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7642 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7642 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0497 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0497 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3352 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3352 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6404 1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6404 1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5549 -1.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5549 -1.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8351 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8351 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5456 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5456 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0081 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0081 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3620 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3620 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5683 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5683 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3007 1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3007 1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0946 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0946 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7718 0.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7718 0.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5247 0.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5247 0.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0517 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0517 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9453 -1.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9453 -1.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6643 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6643 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1583 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1583 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2084 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2084 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2527 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2527 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7587 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7587 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7086 -0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7086 -0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2293 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2293 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4079 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4079 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7092 -1.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7092 -1.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3519 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3519 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6572 1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6572 1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7642 1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7642 1.3844 0.0000 O 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 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 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 20 23 1 1 0 0 0 | + | 20 23 1 1 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 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 |
| − | 7 29 2 0 0 0 0 | + | 7 29 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 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 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 34 26 1 0 0 0 0 | + | 34 26 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 25 40 1 0 0 0 0 | + | 25 40 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 45 0.5626 -0.4077 | + | M SBV 1 45 0.5626 -0.4077 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0001 | + | ID FL2FA9GS0001 |
| − | FORMULA C27H31HO13 | + | FORMULA C27H31HO13 |
| − | EXACTMASS 564.18429111 | + | EXACTMASS 564.18429111 |
| − | AVERAGEMASS 564.53518 | + | AVERAGEMASS 564.53518 |
| − | SMILES O=C(c41)CC([H])(c(c5)cccc5)Oc(cc(cc4O)OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)1 | + | SMILES O=C(c41)CC([H])(c(c5)cccc5)Oc(cc(cc4O)OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)1 |
M END | M END | ||
| − | |||
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
-0.1404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2500 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2500 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9453 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6404 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6404 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9453 0.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3352 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0497 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7642 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7642 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0497 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3352 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6404 1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -1.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8351 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5456 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0081 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3620 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3007 1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7718 0.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5247 0.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0517 -0.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9453 -1.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6643 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1583 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2527 -1.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7587 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7086 -0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2293 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4079 -2.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7092 -1.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3519 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6572 1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7642 1.3844 0.0000 O 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
20 23 1 1 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
23 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
7 29 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
34 26 1 0 0 0 0
40 41 1 0 0 0 0
25 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 0.5626 -0.4077
S SKP 5
ID FL2FA9GS0001
FORMULA C27H31HO13
EXACTMASS 564.18429111
AVERAGEMASS 564.53518
SMILES O=C(c41)CC([H])(c(c5)cccc5)Oc(cc(cc4O)OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)1
M END
