Mol:FL1CAAGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0009 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0009 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0009 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0009 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2657 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2657 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4698 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4698 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4698 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4698 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2657 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2657 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2048 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2048 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9381 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9381 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6698 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6698 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4001 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4001 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1145 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1145 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8291 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8291 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8291 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8291 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1145 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1145 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4001 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4001 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2048 -0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2048 -0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2657 -0.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2657 -0.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7358 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7358 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2048 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2048 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5435 1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5435 1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7886 -0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7886 -0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3291 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3291 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6673 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6673 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9776 -1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9776 -1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4928 -0.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4928 -0.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1688 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1688 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4997 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4997 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8421 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8421 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1130 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1130 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9545 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9545 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1619 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1619 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6343 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6343 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6929 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6929 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4856 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4856 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0131 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0131 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2197 0.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2197 0.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8848 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8848 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5435 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5435 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4317 -1.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4317 -1.6973 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 31 27 1 0 0 0 0 | + | 31 27 1 0 0 0 0 |
| − | 24 17 1 0 0 0 0 | + | 24 17 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1CAAGS0006 | + | ID FL1CAAGS0006 |
| − | FORMULA C26H30O13 | + | FORMULA C26H30O13 |
| − | EXACTMASS 550.168641046 | + | EXACTMASS 550.168641046 |
| − | AVERAGEMASS 550.5086 | + | AVERAGEMASS 550.5086 |
| − | SMILES c(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)(c2)c(c(O)cc2O)C(C=Cc(c1)ccc(O)c1)=O | + | SMILES c(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)(c2)c(c(O)cc2O)C(C=Cc(c1)ccc(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-1.0009 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0009 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2657 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2657 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2048 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4001 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1145 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8291 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8291 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1145 1.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4001 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2048 -0.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2657 -0.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2048 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5435 1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3291 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6673 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9776 -1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4928 -0.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4997 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8421 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1130 -1.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9545 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1619 -1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6343 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6929 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4856 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0131 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2197 0.6463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8848 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5435 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4317 -1.6973 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
13 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
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 27 1 0 0 0 0
24 17 1 0 0 0 0
S SKP 5
ID FL1CAAGS0006
FORMULA C26H30O13
EXACTMASS 550.168641046
AVERAGEMASS 550.5086
SMILES c(OC(O3)C(O)C(O)C(OC(C(O)4)OC(C(O)C4O)C)C3)(c2)c(c(O)cc2O)C(C=Cc(c1)ccc(O)c1)=O
M END
