Mol:FL2FALGS0003
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 |
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| − | -1.6449 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6449 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.5039 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5039 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5003 0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5003 0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2160 1.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2160 1.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8701 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8701 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5830 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5830 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5798 1.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5798 1.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8637 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8637 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1509 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1509 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2076 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2076 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9830 0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9830 0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6376 -1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6376 -1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2329 2.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2329 2.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6407 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6407 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3428 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3428 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4535 2.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4535 2.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.0048 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0048 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8209 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8209 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9180 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9180 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4192 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4192 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6031 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6031 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5059 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5059 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9032 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9032 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4699 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4699 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0331 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0331 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5628 -1.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5628 -1.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6407 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6407 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0321 -1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0321 -1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3805 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3805 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4130 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4130 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2113 -2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2113 -2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6241 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6241 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8305 -1.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8305 -1.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2273 -2.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2273 -2.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0206 -2.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0206 -2.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8149 -2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8149 -2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6154 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6154 -1.6438 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 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 |
| − | 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 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 20 1 0 0 0 0 | + | 28 20 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 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
| − | 37 44 1 0 0 0 0 | + | 37 44 1 0 0 0 0 |
| − | 36 45 1 0 0 0 0 | + | 36 45 1 0 0 0 0 |
| − | 40 32 1 0 0 0 0 | + | 40 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FALGS0003 | + | ID FL2FALGS0003 |
| − | FORMULA C30H38O15 | + | FORMULA C30H38O15 |
| − | EXACTMASS 638.221070546 | + | EXACTMASS 638.221070546 |
| − | AVERAGEMASS 638.6137200000001 | + | AVERAGEMASS 638.6137200000001 |
| − | SMILES O(C)c(c1)cc(c(C(=O)2)c1OC(c(c(OC)5)ccc(c5)OC(O3)C(O)C(C(O)C3COC(C4O)OC(C(C4O)O)C)O)C2)OC | + | SMILES O(C)c(c1)cc(c(C(=O)2)c1OC(c(c(OC)5)ccc(c5)OC(O3)C(O)C(C(O)C3COC(C4O)OC(C(C4O)O)C)O)C2)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/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.3576 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6449 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3544 -0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6376 -0.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 -0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9286 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2087 -0.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5039 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5003 0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2160 1.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 1.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5830 1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 1.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 2.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1509 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9830 0.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6376 -1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2329 2.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6407 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3428 -1.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 2.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0048 -0.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8209 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4192 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 0.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9032 -0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4699 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0331 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5628 -1.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6407 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0321 -1.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3805 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2113 -2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6241 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8305 -1.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2273 -2.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 -2.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8149 -2.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6154 -1.6438 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
18 21 1 0 0 0 0
19 22 1 0 0 0 0
16 23 1 0 0 0 0
23 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
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 20 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
39 42 1 0 0 0 0
38 43 1 0 0 0 0
37 44 1 0 0 0 0
36 45 1 0 0 0 0
40 32 1 0 0 0 0
S SKP 5
ID FL2FALGS0003
FORMULA C30H38O15
EXACTMASS 638.221070546
AVERAGEMASS 638.6137200000001
SMILES O(C)c(c1)cc(c(C(=O)2)c1OC(c(c(OC)5)ccc(c5)OC(O3)C(O)C(C(O)C3COC(C4O)OC(C(C4O)O)C)O)C2)OC
M END
