Mol:FL7AACGA0002
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 |
| − | -3.3415 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3415 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3415 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3415 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9127 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9127 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9127 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9127 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 1.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 1.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1983 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1983 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4838 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4838 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4838 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4838 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1983 1.3707 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.1983 1.3707 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2303 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2303 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9585 0.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9585 0.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6867 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6867 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6867 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6867 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9585 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9585 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2303 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2303 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4146 2.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4146 2.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0557 1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0557 1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 -1.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 -1.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0723 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0723 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9585 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9585 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2870 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2870 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3217 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3217 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1349 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1349 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3310 -1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3310 -1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2870 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2870 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0677 -1.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0677 -1.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0863 -2.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0863 -2.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5898 -2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5898 -2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1406 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1406 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7644 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7644 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5307 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5307 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4127 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4127 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7891 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7891 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0225 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0225 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4409 -0.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4409 -0.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1350 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1350 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0557 -0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0557 -0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2515 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2515 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1615 -3.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1615 -3.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4385 -3.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4385 -3.3373 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 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 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 25 36 1 0 0 0 0 | + | 25 36 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 22 40 1 0 0 0 0 | + | 22 40 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | 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 -0.1255 1.0565 | + | M SBV 1 45 -0.1255 1.0565 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGA0002 | + | ID FL7AACGA0002 |
| − | FORMULA C26H29O15 | + | FORMULA C26H29O15 |
| − | EXACTMASS 581.1506452579999 | + | EXACTMASS 581.1506452579999 |
| − | AVERAGEMASS 581.49946 | + | AVERAGEMASS 581.49946 |
| − | SMILES Oc(c(O)1)ccc(c(c3OC(C4OC(C5O)OCC(C5O)O)OC(C(C4O)O)CO)[o+1]c(c2c3)cc(O)cc2O)c1 | + | SMILES Oc(c(O)1)ccc(c(c3OC(C4OC(C5O)OCC(C5O)O)OC(C(C4O)O)CO)[o+1]c(c2c3)cc(O)cc2O)c1 |
M END | M END | ||
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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
-3.3415 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3415 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9127 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9127 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 1.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1983 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4838 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4838 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1983 1.3707 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2303 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9585 0.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6867 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6867 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9585 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4146 2.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0557 1.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 -1.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0723 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9585 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 -2.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3217 -3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1349 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3310 -1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 -1.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0863 -2.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 -2.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1406 -0.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7644 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5307 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4127 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 -0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4409 -0.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1350 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0557 -0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2515 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1615 -3.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4385 -3.3373 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
26 20 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
30 36 1 0 0 0 0
31 37 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
25 36 1 0 0 0 0
40 41 1 0 0 0 0
22 40 1 0 0 0 0
M CHG 1 10 1
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 -0.1255 1.0565
S SKP 5
ID FL7AACGA0002
FORMULA C26H29O15
EXACTMASS 581.1506452579999
AVERAGEMASS 581.49946
SMILES Oc(c(O)1)ccc(c(c3OC(C4OC(C5O)OCC(C5O)O)OC(C(C4O)O)CO)[o+1]c(c2c3)cc(O)cc2O)c1
M END
