Mol:FL5FAAGL0092
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 63 69 0 0 0 0 0 0 0 0999 V2000 | + | 63 69 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.7650 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7650 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1597 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1597 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9490 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9490 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3436 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3436 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9490 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9490 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1597 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1597 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1311 -1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1311 -1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1311 1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1311 1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
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| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
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| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 25 37 1 0 0 0 0 | + | 25 37 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 22 38 1 0 0 0 0 | + | 22 38 1 0 0 0 0 |
| − | 23 39 1 0 0 0 0 | + | 23 39 1 0 0 0 0 |
| − | 24 40 1 0 0 0 0 | + | 24 40 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 41 15 1 0 0 0 0 | + | 41 15 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 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 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 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 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
| − | 38 52 1 0 0 0 0 | + | 38 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 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 |
| − | 32 63 1 0 0 0 0 | + | 32 63 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0092 | + | ID FL5FAAGL0092 |
| − | FORMULA C42H46O21 | + | FORMULA C42H46O21 |
| − | EXACTMASS 886.253158534 | + | EXACTMASS 886.253158534 |
| − | AVERAGEMASS 886.8020399999999 | + | AVERAGEMASS 886.8020399999999 |
| − | SMILES C(C1OC(C6=O)=C(c(c7)ccc(c7)O)Oc(c56)cc(cc5O)O)(C(O)C(C(COC(C3O)OC(C)C(C3OC(C4O)OC(C)C(C4O)O)OC(=O)C=Cc(c2)ccc(c2)O)O1)O)O | + | SMILES C(C1OC(C6=O)=C(c(c7)ccc(c7)O)Oc(c56)cc(cc5O)O)(C(O)C(C(COC(C3O)OC(C)C(C3OC(C4O)OC(C)C(C4O)O)OC(=O)C=Cc(c2)ccc(c2)O)O1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-3.1854 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1854 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7565 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7565 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 1.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3277 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3277 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 2.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 2.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1145 2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 2.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 3.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1145 3.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 3.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8996 2.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4479 1.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0416 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4396 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2736 -1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7048 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8757 -0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2698 -0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 1.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2383 0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0674 1.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9014 0.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3326 1.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5035 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9906 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5902 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7214 0.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8267 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8251 -1.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3190 -1.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6568 4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3324 -2.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0988 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7304 -3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5641 -3.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9953 -2.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 -2.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.1705 -3.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1048 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4231 -1.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0882 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3436 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9490 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1597 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1311 -1.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1311 1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
31 36 1 0 0 0 0
25 37 1 0 0 0 0
36 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
29 19 1 0 0 0 0
41 15 1 0 0 0 0
42 43 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 42 1 0 0 0 0
42 48 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 39 1 0 0 0 0
38 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
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56 57 2 0 0 0 0
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58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
32 63 1 0 0 0 0
S SKP 5
ID FL5FAAGL0092
FORMULA C42H46O21
EXACTMASS 886.253158534
AVERAGEMASS 886.8020399999999
SMILES C(C1OC(C6=O)=C(c(c7)ccc(c7)O)Oc(c56)cc(cc5O)O)(C(O)C(C(COC(C3O)OC(C)C(C3OC(C4O)OC(C)C(C4O)O)OC(=O)C=Cc(c2)ccc(c2)O)O1)O)O
M END
