Mol:FL3FAACS0090
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.7773 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7773 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6660 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6660 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1774 0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1774 0.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0838 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0838 0.2960 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 |
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| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
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| − | 7 8 2 0 0 0 0 | + | 7 8 2 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 |
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| − | 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 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 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 30 23 1 0 0 0 0 | + | 30 23 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 46 27 1 0 0 0 0 | + | 46 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0090 | + | ID FL3FAACS0090 |
| − | FORMULA C29H30O17 | + | FORMULA C29H30O17 |
| − | EXACTMASS 650.148299534 | + | EXACTMASS 650.148299534 |
| − | AVERAGEMASS 650.5382999999999 | + | AVERAGEMASS 650.5382999999999 |
| − | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(O)c(C(O3)C(C(O)C(C(COC(=O)CC(O)=O)3)O)OC(O2)C(O)C(O)C(O)C2)1)O | + | SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(O)c(C(O3)C(C(O)C(C(COC(=O)CC(O)=O)3)O)OC(O2)C(O)C(O)C(O)C2)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/
46 50 0 0 0 0 0 0 0 0999 V2000
1.8558 -1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 -1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4268 -1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4268 -2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8558 -2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0021 -1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0021 -2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 -3.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6571 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3716 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0861 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0861 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3716 0.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6571 -0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7695 0.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 -1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 1.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6660 -0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2164 1.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 2.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1344 -0.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6712 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8729 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0794 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 0.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2903 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1442 -0.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7695 -0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1621 2.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0215 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0215 3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 2.1902 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
5 11 2 0 0 0 0
1 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
8 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
7 24 1 0 0 0 0
30 23 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
31 39 1 0 0 0 0
34 30 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 27 1 0 0 0 0
S SKP 5
ID FL3FAACS0090
FORMULA C29H30O17
EXACTMASS 650.148299534
AVERAGEMASS 650.5382999999999
SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(O)c(C(O3)C(C(O)C(C(COC(=O)CC(O)=O)3)O)OC(O2)C(O)C(O)C(O)C2)1)O
M END
