Mol:FL5FCCGL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2573 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2573 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2573 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2573 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5563 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5563 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8553 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8553 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8553 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8553 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5563 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5563 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4533 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4533 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4533 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4533 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1543 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1543 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2475 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2475 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9620 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9620 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6764 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6764 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6764 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6764 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9620 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9620 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2475 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2475 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5563 -0.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5563 -0.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5777 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5777 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0893 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0893 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0287 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0287 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9737 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9737 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4778 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4778 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5228 -2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5228 -2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7586 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7586 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6961 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6961 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2077 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2077 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1470 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1470 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0921 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0921 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5806 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5806 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6412 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6412 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3889 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3889 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2357 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2357 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3705 0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3705 0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8654 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8654 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2858 -0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2858 -0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5135 -2.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5135 -2.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4367 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4367 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9737 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9737 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8773 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8773 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3908 2.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3908 2.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9620 3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9620 3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8479 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8479 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4778 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4778 2.4642 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 |
| − | 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
| − | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
| − | 15 41 1 0 0 0 0 | + | 15 41 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 1 43 1 0 0 0 0 | + | 1 43 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 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 48 0.5905 -0.3409 | + | M SBV 1 48 0.5905 -0.3409 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FCCGL0003 | + | ID FL5FCCGL0003 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O | + | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.2573 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2573 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8553 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8553 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 0.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2475 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9620 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6764 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6764 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9620 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2475 2.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 -0.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0893 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0287 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9737 -2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4778 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5228 -2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7586 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6961 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2077 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1470 -0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0921 -0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5806 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6412 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3889 -0.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2357 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3705 0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8654 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2858 -0.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 -2.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4367 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9737 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8773 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3908 2.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9620 3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8479 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4778 2.4642 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
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
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
43 44 1 0 0 0 0
1 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ OCH3
M SBV 1 48 0.5905 -0.3409
S SKP 5
ID FL5FCCGL0003
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(O3)C(O)C(O)C(C3COC(O4)C(C(C(O)C(C)4)O)O)O)c1)O
M END
