Mol:FL3FAACS0092
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.9337 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9337 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2191 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2191 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4952 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4952 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4952 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4952 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2191 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2191 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9337 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9337 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2098 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9243 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9243 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2098 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2191 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2191 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7351 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7351 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4496 -0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4496 -0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1642 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1642 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1642 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1642 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4496 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4496 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7351 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7351 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8476 1.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8476 1.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2098 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2098 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4071 -0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4071 -0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1092 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1092 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3611 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3611 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6999 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6999 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7507 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7507 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7487 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7487 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1104 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1104 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0517 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0517 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6599 2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6599 2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6597 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6597 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0219 2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0219 2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3235 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3235 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3235 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3235 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8476 0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8476 0.4142 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 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 21 1 1 0 0 0 | + | 25 21 1 1 0 0 0 |
| − | 24 26 1 1 0 0 0 | + | 24 26 1 1 0 0 0 |
| − | 26 23 1 0 0 0 0 | + | 26 23 1 0 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0092 | + | ID FL3FAACS0092 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(=C2)(Oc(c3C(C4OC(C)=O)OC(C4O)C(O)CO)c(c(O)cc3O)C2=O)c(c1)ccc(c1)O | + | SMILES C(=C2)(Oc(c3C(C4OC(C)=O)OC(C4O)C(O)CO)c(c(O)cc3O)C2=O)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.9337 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4952 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4952 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2191 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 -0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1642 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1642 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8476 1.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 -2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4071 -0.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3611 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6999 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7507 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7487 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0517 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6599 2.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6597 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0219 2.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3235 0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3235 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8476 0.4142 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
5 11 2 0 0 0 0
1 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
8 20 1 0 0 0 0
26 21 1 1 0 0 0
25 21 1 1 0 0 0
24 26 1 1 0 0 0
26 23 1 0 0 0 0
27 24 1 0 0 0 0
25 27 1 0 0 0 0
21 22 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
29 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
7 24 1 0 0 0 0
S SKP 5
ID FL3FAACS0092
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=C2)(Oc(c3C(C4OC(C)=O)OC(C4O)C(O)CO)c(c(O)cc3O)C2=O)c(c1)ccc(c1)O
M END
