Mol:FL5FAGGL0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3239 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3239 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3239 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3239 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6095 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6095 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8951 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8951 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8951 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8951 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6095 1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6095 1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1806 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1806 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4662 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4662 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4662 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4662 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1806 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1806 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1806 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1806 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4334 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4334 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1614 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1614 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8896 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8896 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8896 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8896 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1614 3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1614 3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4334 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4334 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6095 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6095 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6689 3.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6689 3.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1773 2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1773 2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1040 0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1040 0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1614 4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1614 4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8860 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8860 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0303 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0303 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4010 -1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4010 -1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1754 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1754 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8860 -2.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8860 -2.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6606 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6606 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7849 -0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7849 -0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1854 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1854 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7855 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7855 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5999 -0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5999 -0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1158 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1158 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8588 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8588 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5755 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5755 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0546 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0546 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4048 -0.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4048 -0.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4382 -0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4382 -0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4301 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4301 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1773 -0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1773 -0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6175 1.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6175 1.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1200 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1200 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2052 -4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2052 -4.2382 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 |
| − | 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 14 41 1 0 0 0 0 | + | 14 41 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 42 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 42 43 | + | M SAL 1 2 42 43 |
| − | M SBL 1 1 47 | + | M SBL 1 1 47 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 47 0.0555 0.7433 | + | M SBV 1 47 0.0555 0.7433 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAGGL0002 | + | ID FL5FAGGL0002 |
| − | FORMULA C26H28O17 | + | FORMULA C26H28O17 |
| − | EXACTMASS 612.1326494699999 | + | EXACTMASS 612.1326494699999 |
| − | AVERAGEMASS 612.49032 | + | AVERAGEMASS 612.49032 |
| − | SMILES C(OC(C(O)5)C(OC(CO)C5O)OC(=C(c(c4)cc(c(c(O)4)O)O)3)C(c(c2O3)c(cc(c2)O)O)=O)(C1O)OCC(C1O)O | + | SMILES C(OC(C(O)5)C(OC(CO)C5O)OC(=C(c(c4)cc(c(c(O)4)O)O)3)C(c(c2O3)c(cc(c2)O)O)=O)(C1O)OCC(C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.3239 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3239 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8951 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8951 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 1.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4662 0.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4662 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 -0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4334 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1614 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8896 2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8896 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1614 3.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4334 2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6095 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6689 3.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1773 2.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 0.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1614 4.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4010 -1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1754 -2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -2.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6606 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7849 -0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1854 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7855 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5999 -0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1158 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8588 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5755 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0546 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4048 -0.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4382 -0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4301 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1773 -0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6175 1.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1200 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2052 -4.2382 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
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 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 21 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
29 32 1 0 0 0 0
14 41 1 0 0 0 0
42 43 1 0 0 0 0
26 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 ^ CH2OH
M SBV 1 47 0.0555 0.7433
S SKP 5
ID FL5FAGGL0002
FORMULA C26H28O17
EXACTMASS 612.1326494699999
AVERAGEMASS 612.49032
SMILES C(OC(C(O)5)C(OC(CO)C5O)OC(=C(c(c4)cc(c(c(O)4)O)O)3)C(c(c2O3)c(cc(c2)O)O)=O)(C1O)OCC(C1O)O
M END
