Mol:FL5FACGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0365 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0365 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0365 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0365 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3221 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3221 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6077 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6077 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6077 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6077 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3221 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3221 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8932 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8932 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1788 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1788 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1788 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1788 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8932 1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8932 1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8932 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8932 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5354 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5354 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2634 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2634 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9916 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9916 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9916 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9916 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2634 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2634 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5354 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5354 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7507 1.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7507 1.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3207 -0.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3207 -0.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6562 2.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6562 2.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5354 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5354 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2634 3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2634 3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5421 -1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5421 -1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0216 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0216 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0935 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0935 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5252 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5252 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5060 -1.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5060 -1.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0216 -1.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0216 -1.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0935 -2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0935 -2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7767 -2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7767 -2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3449 -3.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3449 -3.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1630 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1630 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9525 -3.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9525 -3.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3788 -2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3788 -2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6630 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6630 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5842 -3.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5842 -3.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8366 -3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8366 -3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7507 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7507 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5421 -2.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5421 -2.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8045 -2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8045 -2.7958 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 23 39 1 0 0 0 0 | + | 23 39 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 39 40 | + | M SAL 1 2 39 40 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 0.0000 0.7583 | + | M SBV 1 44 0.0000 0.7583 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FACGS0021 | + | ID FL5FACGS0021 |
| − | FORMULA C25H26O15 | + | FORMULA C25H26O15 |
| − | EXACTMASS 566.127170162 | + | EXACTMASS 566.127170162 |
| − | AVERAGEMASS 566.46494 | + | AVERAGEMASS 566.46494 |
| − | SMILES C(=C2OC(C(OC(O5)C(O)C(O)C(O)C5)4)OC(CO)C4O)(c(c3)cc(c(c3)O)O)Oc(c1)c(C2=O)c(O)cc1O | + | SMILES C(=C2OC(C(OC(O5)C(O)C(O)C(O)C5)4)OC(CO)C4O)(c(c3)cc(c(c3)O)O)Oc(c1)c(C2=O)c(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.0365 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0365 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3221 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6077 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6077 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3221 1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 -0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1788 0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1788 1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 2.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7507 1.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3207 -0.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 2.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -0.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5421 -1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5252 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5060 -1.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0216 -1.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7767 -2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3449 -3.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9525 -3.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3788 -2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6630 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5842 -3.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7507 -2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5421 -2.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8045 -2.7958 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
16 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 23 1 0 0 0 0
24 28 1 0 0 0 0
25 29 1 0 0 0 0
26 21 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
29 30 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 0 0 0 0
23 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 0.0000 0.7583
S SKP 5
ID FL5FACGS0021
FORMULA C25H26O15
EXACTMASS 566.127170162
AVERAGEMASS 566.46494
SMILES C(=C2OC(C(OC(O5)C(O)C(O)C(O)C5)4)OC(CO)C4O)(c(c3)cc(c(c3)O)O)Oc(c1)c(C2=O)c(O)cc1O
M END
