Mol:FL3F1CGS0003
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 |
| − | 0.3105 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3105 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3105 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3105 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0116 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0116 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7127 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7127 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7127 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7127 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0116 -0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0116 -0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4138 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4138 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1149 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1149 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1149 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1149 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4138 -0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4138 -0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4138 -2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4138 -2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8158 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8158 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5304 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5304 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2448 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2448 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2448 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2448 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5304 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5304 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8158 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8158 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3904 -0.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3904 -0.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5304 1.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5304 1.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9592 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9592 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5932 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5932 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9433 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9433 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0076 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0076 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1046 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1046 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7607 -0.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7607 -0.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5794 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5794 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9998 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9998 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3264 -0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3264 -0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6869 -1.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6869 -1.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2843 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2843 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3742 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3742 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5825 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5825 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8338 0.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8338 0.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5825 1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5825 1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3742 2.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3742 2.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1232 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1232 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7766 0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7766 0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8692 2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8692 2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5825 2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5825 2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7926 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7926 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9592 0.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9592 0.2434 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 37 27 1 0 0 0 0 | + | 37 27 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 31 41 1 0 0 0 0 | + | 31 41 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3F1CGS0003 | + | ID FL3F1CGS0003 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c5)cc(c3c5)OC(c(c4)cc(c(O)c4)O)=CC3=O)C(C(O)C(O)1)O | + | SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c5)cc(c3c5)OC(c(c4)cc(c(O)c4)O)=CC3=O)C(C(O)C(O)1)O |
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
0.3105 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3105 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7127 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4138 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1149 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4138 -0.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4138 -2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8158 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5304 -0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2448 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2448 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5304 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8158 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -0.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5304 1.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9592 0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5932 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9433 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0076 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1046 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7607 -0.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9998 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -0.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6869 -1.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2843 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3742 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5825 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8338 0.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5825 1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3742 2.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1232 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 0.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8692 2.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5825 2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7926 1.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9592 0.2434 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
32 37 1 0 0 0 0
37 27 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 1 0 0 0 0
31 41 1 0 0 0 0
24 18 1 0 0 0 0
S SKP 5
ID FL3F1CGS0003
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c5)cc(c3c5)OC(c(c4)cc(c(O)c4)O)=CC3=O)C(C(O)C(O)1)O
M END
