Mol:FL3FAADS0036
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 51 56 0 0 0 0 0 0 0 0999 V2000 | + | 51 56 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.2784 -2.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2784 -2.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3713 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3713 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7880 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7880 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0712 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0712 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
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| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 24 1 0 0 0 0 | + | 35 24 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 11 1 0 0 0 0 | + | 46 11 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAADS0036 | + | ID FL3FAADS0036 |
| − | FORMULA C32H38O19 | + | FORMULA C32H38O19 |
| − | EXACTMASS 726.200729034 | + | EXACTMASS 726.200729034 |
| − | AVERAGEMASS 726.6327200000001 | + | AVERAGEMASS 726.6327200000001 |
| − | SMILES O(C1Oc(c4)c(c(c(C5=O)c(OC(c(c6)ccc(O)c6)=C5)4)O)C(C2OC(O3)C(C(C(C(CO)3)O)O)O)OC(CO)C(O)C2O)CC(O)C(C1O)O | + | SMILES O(C1Oc(c4)c(c(c(C5=O)c(OC(c(c6)ccc(O)c6)=C5)4)O)C(C2OC(O3)C(C(C(C(CO)3)O)O)O)OC(CO)C(O)C2O)CC(O)C(C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
1.8257 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1113 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1113 -0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0321 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0081 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 -0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7094 1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 -1.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1113 -0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5975 -0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9214 -0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2863 -0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -0.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1473 0.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7825 -0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8676 -0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0101 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5279 -1.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5031 -0.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6074 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3219 0.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0364 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0364 2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3219 2.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6074 2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6516 2.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2917 -1.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6156 -2.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1655 -1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8415 -1.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4767 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 -1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4161 -1.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6516 -2.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1273 -2.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3713 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7880 0.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 0.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8296 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5464 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3713 1.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4319 0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3856 0.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 24 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 11 1 0 0 0 0
S SKP 5
ID FL3FAADS0036
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(C1Oc(c4)c(c(c(C5=O)c(OC(c(c6)ccc(O)c6)=C5)4)O)C(C2OC(O3)C(C(C(C(CO)3)O)O)O)OC(CO)C(O)C2O)CC(O)C(C1O)O
M END
