Mol:FL3FACCS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5208 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5208 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8064 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8064 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0919 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0919 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0919 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0919 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8064 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8064 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5208 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5208 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6225 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6225 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3370 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3370 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3370 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3370 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6225 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6225 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9827 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9827 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6211 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6211 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8064 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8064 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3025 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3025 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0170 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0170 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7315 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7315 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7315 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7315 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0170 2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0170 2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3025 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3025 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3467 2.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3467 2.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3857 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3857 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5660 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5660 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9785 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9785 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1853 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1853 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3872 -0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3872 -0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9746 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9746 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7679 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7679 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3857 -0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3857 -0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9261 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9261 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5139 -0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5139 -0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5848 -0.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 -0.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9888 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9888 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4014 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4014 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6079 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6079 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8096 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8096 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3969 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3969 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1905 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1905 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7936 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7936 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1240 -2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1240 -2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6915 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6915 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6009 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6009 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 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 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 26 9 1 0 0 0 0 | + | 26 9 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 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 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0052 | + | ID FL3FACCS0052 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)O)O | + | SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.5208 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8064 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0919 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0919 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8064 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5208 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6225 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9827 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6211 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8064 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3025 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7315 1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7315 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3025 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3467 2.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3857 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5660 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9785 -0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3872 -0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9746 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7679 -0.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3857 -0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9261 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5139 -0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 -0.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9888 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4014 -1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 -1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3969 -1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1905 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7936 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1240 -2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6915 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6009 -1.3796 0.0000 C 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
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
26 9 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 31 1 0 0 0 0
S SKP 5
ID FL3FACCS0052
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c3O)(C(C(OC(C(O)5)OC(C)C(C5O)O)4)OC(C(O)C4O)C)c(cc(c32)OC(=CC2=O)c(c1)ccc(c1O)O)O
M END
