Mol:FL3FECGS0050
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.6499 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6499 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3643 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3643 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0788 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0788 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0788 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0788 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3643 1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3643 1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9354 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9354 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2209 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2209 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5065 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5065 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5065 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5065 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2209 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2209 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9354 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9354 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2080 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2080 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9225 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9225 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9225 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9225 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2080 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2080 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2209 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2209 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6370 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6370 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2080 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2080 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7844 1.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7844 1.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7433 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7433 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5756 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5756 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4284 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4284 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3745 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3745 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9620 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9620 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1639 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1639 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3707 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3707 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7831 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7831 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5813 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5813 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4834 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4834 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6625 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6625 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0678 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0678 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7975 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7975 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7415 1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7415 1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4284 2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4284 2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7232 2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7232 2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1257 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1257 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9414 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9414 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3539 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3539 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5606 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5606 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7625 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7625 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3499 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3499 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1433 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1433 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7466 -2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7466 -2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0353 -2.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0353 -2.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8450 -1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8450 -1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7376 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7376 -1.3030 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 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 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 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
| − | 40 45 1 0 0 0 0 | + | 40 45 1 0 0 0 0 |
| − | 39 46 1 0 0 0 0 | + | 39 46 1 0 0 0 0 |
| − | 38 47 1 0 0 0 0 | + | 38 47 1 0 0 0 0 |
| − | 42 30 1 0 0 0 0 | + | 42 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0050 | + | ID FL3FECGS0050 |
| − | FORMULA C30H34O17 | + | FORMULA C30H34O17 |
| − | EXACTMASS 666.179599662 | + | EXACTMASS 666.179599662 |
| − | AVERAGEMASS 666.58076 | + | AVERAGEMASS 666.58076 |
| − | SMILES OC(C1O)C(O)C(C)OC1OC(C2O)C(Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c(O)4)OC)O)O)OC(COC(C)=O)C2O | + | SMILES OC(C1O)C(O)C(C)OC1OC(C2O)C(Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c(O)4)OC)O)O)OC(COC(C)=O)C2O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
2.6499 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6499 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3643 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0788 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0788 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3643 1.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9354 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2209 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5065 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5065 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2209 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9354 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2209 -1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6370 0.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 1.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7433 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5756 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4284 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3745 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1639 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3707 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7831 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5813 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4834 -0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0678 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7975 1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7415 1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4284 2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7232 2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1257 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9414 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3539 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5606 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7625 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3499 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1433 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7466 -2.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0353 -2.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8450 -1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7376 -1.3030 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 1 0 0 0 0
20 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
26 30 1 0 0 0 0
25 31 1 0 0 0 0
24 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 36 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
27 18 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
40 45 1 0 0 0 0
39 46 1 0 0 0 0
38 47 1 0 0 0 0
42 30 1 0 0 0 0
S SKP 5
ID FL3FECGS0050
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES OC(C1O)C(O)C(C)OC1OC(C2O)C(Oc(c3)c(c(c(C5=O)c3OC(=C5)c(c4)ccc(c(O)4)OC)O)O)OC(COC(C)=O)C2O
M END
