Mol:FL3FECGS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.4113 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4113 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4113 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4113 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1258 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1258 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8403 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8403 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8403 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8403 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1258 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1258 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6969 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6969 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9824 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9824 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9824 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9824 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6969 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6969 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5535 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5535 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1610 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1610 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1610 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1610 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5535 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5535 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9824 -2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9824 -2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8755 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8755 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5535 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5535 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5459 1.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5459 1.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5047 -0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5047 -0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8141 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8141 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2191 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2191 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5058 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5058 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0933 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0933 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2952 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2952 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5019 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9144 0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9144 0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7125 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7125 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7260 -0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7260 -0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1109 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1109 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7456 -0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7456 -0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1016 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1016 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8262 0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8262 0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0496 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0496 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8569 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8569 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3950 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3950 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3460 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3460 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5388 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5388 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0005 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0005 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8581 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8581 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2346 2.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2346 2.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2191 1.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2191 1.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9699 0.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9699 0.2249 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 28 18 1 0 0 0 0 | + | 28 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0052 | + | ID FL3FECGS0052 |
| − | FORMULA C29H34O16 | + | FORMULA C29H34O16 |
| − | EXACTMASS 638.18468504 | + | EXACTMASS 638.18468504 |
| − | AVERAGEMASS 638.57066 | + | AVERAGEMASS 638.57066 |
| − | SMILES COc(c(O)1)cc(C(=C2)Oc(c3)c(c(c(c3OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)OC)O)C(=O)2)cc1 | + | SMILES COc(c(O)1)cc(C(=C2)Oc(c3)c(c(c(c3OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)OC)O)C(=O)2)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
3.4113 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4113 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1258 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9824 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9824 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5535 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1610 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5535 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9824 -2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8755 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5535 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5459 1.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5047 -0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8141 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2191 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5058 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0933 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2952 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9144 0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7260 -0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1109 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7456 -0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1016 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8262 0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0496 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8569 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3950 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3460 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5388 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0005 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8581 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2346 2.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2191 1.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9699 0.2249 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
27 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
30 34 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
38 44 1 0 0 0 0
39 45 1 0 0 0 0
35 40 1 0 0 0 0
28 18 1 0 0 0 0
S SKP 5
ID FL3FECGS0052
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES COc(c(O)1)cc(C(=C2)Oc(c3)c(c(c(c3OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)OC)O)C(=O)2)cc1
M END
