Mol:FL3FADGS0023
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 |
| − | 2.4812 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4812 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4812 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4812 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1956 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1956 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9101 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9101 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9101 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9101 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1956 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1956 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7667 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7667 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0522 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0522 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3377 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3377 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0522 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0522 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7667 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7667 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0911 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0911 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0911 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0911 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0522 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0522 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8057 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8057 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6157 1.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6157 1.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6304 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6304 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2116 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2116 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5184 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5184 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1059 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1059 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3078 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3078 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5145 0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5145 0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9270 1.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9270 1.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7251 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7251 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0250 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0250 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7715 1.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7715 1.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1444 1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1444 1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6974 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6974 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8090 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8090 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3080 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3080 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7205 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7205 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9272 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9272 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1292 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1292 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7166 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7166 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5099 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5099 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1132 -1.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1132 -1.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2783 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2783 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2116 -1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2116 -1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0217 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0217 -0.7306 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 |
| − | 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 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 |
| − | 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADGS0023 | + | ID FL3FADGS0023 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(O)C3CO)O)OC(O2)C(O)C(C(C2C)O)O)O)cc(c1O)OC | + | SMILES c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(O)C3CO)O)OC(O2)C(O)C(C(C2C)O)O)O)cc(c1O)OC |
M END | M END | ||
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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
2.4812 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4812 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1956 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9101 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9101 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1956 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7667 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3377 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7667 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0911 0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0911 -0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 -0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 -1.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 0.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 -1.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6157 1.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6304 0.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2116 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5184 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1059 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3078 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9270 1.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7251 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0250 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7715 1.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1444 1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6974 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8090 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3080 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7205 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9272 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1292 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7166 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5099 -0.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1132 -1.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2783 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2116 -1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0217 -0.7306 0.0000 C 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
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
S SKP 5
ID FL3FADGS0023
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(O)C3CO)O)OC(O2)C(O)C(C(C2C)O)O)O)cc(c1O)OC
M END
