Mol:FL3FAAGS0013
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.4810 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4810 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4810 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4810 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2334 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2334 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9479 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9479 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9479 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9479 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2334 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2334 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6623 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6623 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3767 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3767 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3767 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3767 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6623 0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6623 0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6623 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6623 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0909 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0909 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8190 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8190 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5472 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5472 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8190 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8190 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0909 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0909 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1952 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1952 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2334 -2.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2334 -2.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2751 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2751 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5148 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5148 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8532 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8532 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8997 0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8997 0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9796 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9796 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7293 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7293 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6429 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6429 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2751 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2751 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6368 -0.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6368 -0.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0632 -0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0632 -0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1051 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1051 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7907 0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7907 0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8163 1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8163 1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0532 1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0532 1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6930 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6930 2.0976 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 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 |
| − | 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0013 | + | ID FL3FAAGS0013 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES OC(C(O)1)C(O)C(C(=O)OCC)OC1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O | + | SMILES OC(C(O)1)C(O)C(C(=O)OCC)OC1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=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
-0.4810 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4810 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2334 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9479 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9479 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2334 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6623 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6623 0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6623 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0909 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8190 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0909 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1952 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2334 -2.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2751 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5148 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8532 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8997 0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9796 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6429 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2751 0.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6368 -0.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0632 -0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1051 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7907 0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8163 1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0532 1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6930 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 5
ID FL3FAAGS0013
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES OC(C(O)1)C(O)C(C(=O)OCC)OC1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O
M END
