Mol:FL3FACGS0074
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 |
| − | 0.7260 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7260 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7260 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7260 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1549 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1549 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1549 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1549 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4404 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4404 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8694 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8694 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5838 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5838 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5838 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5838 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8694 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8694 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2983 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2983 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0127 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0127 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7271 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7271 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7271 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7271 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0127 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0127 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2983 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2983 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8694 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8694 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0177 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0177 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4404 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4404 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3501 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3501 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4329 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4329 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6751 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6751 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2625 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2625 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4642 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4642 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6707 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6707 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0833 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0833 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8816 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8816 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3542 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3542 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2403 1.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2403 1.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1934 0.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1934 0.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8929 0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8929 0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9031 -0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9031 -0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.9023 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.9023 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4897 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4897 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6914 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6914 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8979 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8979 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3104 1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3104 1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1088 1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1088 1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1229 0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1229 0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1098 1.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1098 1.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4329 1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4329 1.6120 0.0000 O 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 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 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 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 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 36 29 1 0 0 0 0 | + | 36 29 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACGS0074 | + | ID FL3FACGS0074 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES c(c3)(c(c(O)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O | + | SMILES c(c3)(c(c(O)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)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/
41 45 0 0 0 0 0 0 0 0999 V2000
0.7260 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4404 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8694 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5838 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5838 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8694 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2983 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0127 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7271 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7271 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0127 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2983 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8694 -1.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0177 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4404 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3501 1.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4329 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6751 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2625 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4642 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6707 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0833 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8816 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2403 1.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1934 0.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 0.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9031 -0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9023 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4897 1.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6914 1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8979 1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3104 1.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1088 1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1229 0.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1098 1.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4329 1.6120 0.0000 O 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
33 41 1 0 0 0 0
36 29 1 0 0 0 0
S SKP 5
ID FL3FACGS0074
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c3)(c(c(O)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M END
