Mol:FL5FADGS0033
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | -2.7839 1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7839 1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
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| − | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
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| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 52 55 1 0 0 0 0 | + | 52 55 1 0 0 0 0 |
| − | 44 35 1 0 0 0 0 | + | 44 35 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | 59 58 1 1 0 0 0 | + | 59 58 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 58 63 1 0 0 0 0 | + | 58 63 1 0 0 0 0 |
| − | 57 64 1 0 0 0 0 | + | 57 64 1 0 0 0 0 |
| − | 56 65 1 0 0 0 0 | + | 56 65 1 0 0 0 0 |
| − | 60 43 1 0 0 0 0 | + | 60 43 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 1 1 0 0 0 | + | 67 68 1 1 0 0 0 |
| − | 69 68 1 1 0 0 0 | + | 69 68 1 1 0 0 0 |
| − | 70 69 1 1 0 0 0 | + | 70 69 1 1 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 66 1 0 0 0 0 | + | 71 66 1 0 0 0 0 |
| − | 69 72 1 0 0 0 0 | + | 69 72 1 0 0 0 0 |
| − | 68 73 1 0 0 0 0 | + | 68 73 1 0 0 0 0 |
| − | 67 74 1 0 0 0 0 | + | 67 74 1 0 0 0 0 |
| − | 66 75 1 0 0 0 0 | + | 66 75 1 0 0 0 0 |
| − | 70 41 1 0 0 0 0 | + | 70 41 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0033 | + | ID FL5FADGS0033 |
| − | FORMULA C49H58O26 | + | FORMULA C49H58O26 |
| − | EXACTMASS 1062.321632028 | + | EXACTMASS 1062.321632028 |
| − | AVERAGEMASS 1062.96922 | + | AVERAGEMASS 1062.96922 |
| − | SMILES C(=CC(OC(C(O)7)C(C(OC7COC(C(O)8)OC(C)C(O)C8O)OC(=C5c(c6)ccc(O)c6OC)C(c(c(O5)3)c(cc(OC(O4)C(O)C(O)C(O)C4C)c3)O)=O)OC(O2)C(C(C(C(C)2)O)O)O)=O)c(c1)ccc(O)c1 | + | SMILES C(=CC(OC(C(O)7)C(C(OC7COC(C(O)8)OC(C)C(O)C8O)OC(=C5c(c6)ccc(O)c6OC)C(c(c(O5)3)c(cc(OC(O4)C(O)C(O)C(O)C4C)c3)O)=O)OC(O2)C(C(C(C(C)2)O)O)O)=O)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
75 82 0 0 0 0 0 0 0 0999 V2000
2.9586 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2442 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9586 4.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5297 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8153 3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1008 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1008 2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8153 1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5297 2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6137 1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8153 0.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.2442 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.2864 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0998 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4484 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 0.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9673 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2945 0.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1148 -0.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5979 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5964 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 -2.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3086 -3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0223 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -4.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3055 -5.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 -4.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5934 -3.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 -5.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6660 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6962 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2479 -1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0054 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4535 -0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4043 -1.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 -2.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2090 -2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2068 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9964 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8228 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0330 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7671 0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2553 -1.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8097 -0.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2786 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7839 1.0972 0.0000 C 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
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 18 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
36 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 49 1 0 0 0 0
52 55 1 0 0 0 0
44 35 1 0 0 0 0
37 19 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 1 0 0 0
59 58 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
58 63 1 0 0 0 0
57 64 1 0 0 0 0
56 65 1 0 0 0 0
60 43 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 1 0 0 0
69 68 1 1 0 0 0
70 69 1 1 0 0 0
70 71 1 0 0 0 0
71 66 1 0 0 0 0
69 72 1 0 0 0 0
68 73 1 0 0 0 0
67 74 1 0 0 0 0
66 75 1 0 0 0 0
70 41 1 0 0 0 0
S SKP 5
ID FL5FADGS0033
FORMULA C49H58O26
EXACTMASS 1062.321632028
AVERAGEMASS 1062.96922
SMILES C(=CC(OC(C(O)7)C(C(OC7COC(C(O)8)OC(C)C(O)C8O)OC(=C5c(c6)ccc(O)c6OC)C(c(c(O5)3)c(cc(OC(O4)C(O)C(O)C(O)C4C)c3)O)=O)OC(O2)C(C(C(C(C)2)O)O)O)=O)c(c1)ccc(O)c1
M END
