Mol:FL4DBCGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1686 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1686 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4469 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4469 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1774 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1774 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4630 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4630 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7457 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7457 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7344 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7344 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0310 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0310 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6888 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6888 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6956 1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6956 1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0127 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0127 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4357 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4357 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4446 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4446 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1653 2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1653 2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8753 2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8753 2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8689 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8689 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1474 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1474 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0310 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0310 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8785 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8785 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3788 -0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3788 -0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5607 1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5607 1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5465 2.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5465 2.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4630 -0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4630 -0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5607 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5607 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3293 -1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3293 -1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6337 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6337 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8231 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8231 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3713 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3713 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0010 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0010 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8775 -1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8775 -1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9675 -2.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9675 -2.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5016 -2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5016 -2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5977 -0.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5977 -0.4605 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 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 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL4DBCGS0001 | + | ID FL4DBCGS0001 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O | + | SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.1686 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4469 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0127 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4446 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8689 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1474 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 -0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5607 1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5465 2.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5607 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3293 -1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8231 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 -1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9675 -2.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 -2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 -0.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
4 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 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
27 32 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 5
ID FL4DBCGS0001
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O
M END
