Mol:FL3FADGS0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.6269 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6269 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6269 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6269 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3414 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3414 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0558 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0558 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3414 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3414 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9124 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9124 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4835 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4835 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4835 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4835 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9124 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9124 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0545 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0545 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0545 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0545 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6599 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6599 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7614 2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7614 2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7165 0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7165 0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2997 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2997 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8037 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8037 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0068 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0068 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5903 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5903 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8691 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8691 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6659 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6659 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0825 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0825 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7094 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7094 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5125 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5125 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1323 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1323 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5264 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5264 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7168 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7168 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7184 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7184 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7184 -2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7184 -2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2784 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2784 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6987 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6987 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8310 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8310 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1626 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1626 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2784 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2784 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9960 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9960 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2997 -0.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2997 -0.4543 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 |
| − | 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 |
| − | 40 34 1 1 0 0 0 | + | 40 34 1 1 0 0 0 |
| − | 39 34 1 1 0 0 0 | + | 39 34 1 1 0 0 0 |
| − | 38 40 1 1 0 0 0 | + | 38 40 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 40 36 1 0 0 0 0 | + | 40 36 1 0 0 0 0 |
| − | 41 38 1 0 0 0 0 | + | 41 38 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 38 30 1 0 0 0 0 | + | 38 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FADGS0022 | + | ID FL3FADGS0022 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES C(C1OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)(C(CO)(CO1)O)O | + | SMILES C(C1OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)(C(CO)(CO1)O)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/
42 46 0 0 0 0 0 0 0 0999 V2000
3.6269 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6269 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3414 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3414 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6599 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7614 2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7165 0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2997 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8037 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0068 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0825 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7094 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5125 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5264 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 -2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2784 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6987 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8310 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1626 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2784 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9960 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2997 -0.4543 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
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
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
38 30 1 0 0 0 0
S SKP 5
ID FL3FADGS0022
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C1OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)(C(CO)(CO1)O)O
M END
