Mol:FL5FADGS0024
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.6024 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6024 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5409 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5409 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2554 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2554 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2554 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2554 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.1120 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1120 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9698 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9698 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3169 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3169 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5409 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5409 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4602 3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4602 3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1244 -1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1244 -1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7940 -2.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7940 -2.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2876 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2876 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.2127 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2127 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9202 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9202 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2752 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2752 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.9975 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9975 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.2700 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2700 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6413 -4.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6413 -4.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2479 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2479 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4952 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4952 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4952 -3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4952 -3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0690 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0690 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8650 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8650 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8650 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8650 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2912 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2912 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1976 -3.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1976 -3.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0103 -3.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0103 -3.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0489 -3.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0489 -3.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0709 -3.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0709 -3.0730 0.0000 C 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 |
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| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
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| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 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 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 31 1 0 0 0 0 | + | 38 31 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 49 48 1 1 0 0 0 | + | 49 48 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 46 1 0 0 0 0 | + | 51 46 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 47 54 1 0 0 0 0 | + | 47 54 1 0 0 0 0 |
| − | 46 55 1 0 0 0 0 | + | 46 55 1 0 0 0 0 |
| − | 50 34 1 0 0 0 0 | + | 50 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGS0024 | + | ID FL5FADGS0024 |
| − | FORMULA C34H42O21 | + | FORMULA C34H42O21 |
| − | EXACTMASS 786.2218584059999 | + | EXACTMASS 786.2218584059999 |
| − | AVERAGEMASS 786.68468 | + | AVERAGEMASS 786.68468 |
| − | SMILES C(OC(O6)C(O)C(C(O)C6CO)O)C(O2)C(O)C(O)C(C2OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(c3)O)O)OC(O1)C(C(C(O)C1C)O)O | + | SMILES C(OC(O6)C(O)C(C(O)C6CO)O)C(O2)C(O)C(O)C(C2OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(c3)O)O)OC(O1)C(C(C(O)C1C)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
2.0313 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3169 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3169 2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0313 3.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8265 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8265 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5409 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2554 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2554 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5409 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1120 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9698 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3169 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5409 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4602 3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0313 3.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7555 4.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6407 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1809 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4734 -1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2968 -0.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5806 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7940 -2.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3505 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0342 -3.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2127 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9202 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 -2.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3893 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9975 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4602 -3.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2700 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6413 -4.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2479 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 -3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2912 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 -3.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0103 -3.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 -3.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -3.0730 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 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 31 1 0 0 0 0
27 19 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
47 54 1 0 0 0 0
46 55 1 0 0 0 0
50 34 1 0 0 0 0
S SKP 5
ID FL5FADGS0024
FORMULA C34H42O21
EXACTMASS 786.2218584059999
AVERAGEMASS 786.68468
SMILES C(OC(O6)C(O)C(C(O)C6CO)O)C(O2)C(O)C(O)C(C2OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(c3)O)O)OC(O1)C(C(C(O)C1C)O)O
M END
