Mol:FL4DACGS0031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2247 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2247 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5048 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5048 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2335 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2335 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5209 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5209 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1945 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1945 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2058 0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2058 0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9074 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9074 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6253 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6253 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6321 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6321 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9256 1.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9256 1.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3702 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3702 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3791 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3791 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0981 2.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0981 2.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8062 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8062 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7998 1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7998 1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0801 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0801 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9352 -1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9352 -1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9328 1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9328 1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4799 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4799 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4899 0.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4899 0.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4757 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4757 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5209 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5209 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3894 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3894 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2144 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2144 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6214 1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4036 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4036 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5785 0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5785 0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1714 1.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1714 1.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0015 0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0015 0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4899 1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4899 1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2323 2.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2323 2.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7793 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7793 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1086 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1086 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6961 -2.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6961 -2.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4894 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4894 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2875 -2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2875 -2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7000 -1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7000 -1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9068 -1.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9068 -1.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3034 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3034 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0146 -2.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0146 -2.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2412 -1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2412 -1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4155 -1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4155 -1.5549 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 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 |
| − | 26 25 1 1 0 0 0 | + | 26 25 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 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DACGS0031 | + | ID FL4DACGS0031 |
| − | FORMULA C27H32O15 | + | FORMULA C27H32O15 |
| − | EXACTMASS 596.174120354 | + | EXACTMASS 596.174120354 |
| − | AVERAGEMASS 596.5339799999999 | + | AVERAGEMASS 596.5339799999999 |
| − | SMILES c(c(O)1)cc(C(O2)C(OC(C(O)5)OC(C)C(C5O)O)C(c(c(O)3)c(cc(OC(C(O)4)OC(C)C(O)C4O)c3)2)=O)cc1O | + | SMILES c(c(O)1)cc(C(O2)C(OC(C(O)5)OC(C)C(C5O)O)C(c(c(O)3)c(cc(OC(C(O)4)OC(C)C(O)C4O)c3)2)=O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.2247 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5048 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2335 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 -0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1945 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2058 0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9074 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 -0.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 1.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3702 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3791 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0981 2.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8062 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7998 1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0801 0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9352 -1.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9328 1.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4799 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4899 0.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4757 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 -1.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3894 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2144 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 1.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4036 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1714 1.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0015 0.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4899 1.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2323 2.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 -1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6961 -2.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2875 -2.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 -1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9068 -1.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 -2.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2412 -1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4155 -1.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 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
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 19 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 5
ID FL4DACGS0031
FORMULA C27H32O15
EXACTMASS 596.174120354
AVERAGEMASS 596.5339799999999
SMILES c(c(O)1)cc(C(O2)C(OC(C(O)5)OC(C)C(C5O)O)C(c(c(O)3)c(cc(OC(C(O)4)OC(C)C(O)C4O)c3)2)=O)cc1O
M END
