Mol:FL3FAAGS0042
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5401 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5401 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5401 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5401 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1744 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1744 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8888 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8888 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8888 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8888 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1744 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1744 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3176 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3176 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3176 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3176 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 -1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 -1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0318 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0318 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7600 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7600 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4881 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4881 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4881 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4881 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7600 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7600 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0318 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0318 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2542 0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2542 0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2160 1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2160 1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1744 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1744 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4477 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4477 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8895 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8895 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0857 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0857 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2040 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2040 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8736 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8736 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6948 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6948 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2160 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2160 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6758 0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6758 0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3763 -0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3763 -0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2288 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2288 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9944 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9944 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9607 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9607 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1973 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1973 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3726 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3726 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9770 -1.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9770 -1.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7323 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7323 -1.5618 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0042 | + | ID FL3FAAGS0042 |
| − | FORMULA C24H22O12 | + | FORMULA C24H22O12 |
| − | EXACTMASS 502.111126168 | + | EXACTMASS 502.111126168 |
| − | AVERAGEMASS 502.42428 | + | AVERAGEMASS 502.42428 |
| − | SMILES C(O)(C4O)C(OC(C4OC(C)=O)Oc(c1)cc(c(C(=O)3)c1OC(=C3)c(c2)ccc(c2)O)O)C(=O)OC | + | SMILES C(O)(C4O)C(OC(C4OC(C)=O)Oc(c1)cc(c(C(=O)3)c1OC(=C3)c(c2)ccc(c2)O)O)C(=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.5401 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5401 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1744 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8888 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1744 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3176 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3176 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 -1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0318 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7600 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4881 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4881 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7600 1.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0318 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2542 0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2160 1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1744 -1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4477 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8895 -0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0857 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8736 0.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6948 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2160 0.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6758 0.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3763 -0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2288 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9944 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9607 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1973 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3726 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9770 -1.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7323 -1.5618 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
15 19 1 0 0 0 0
20 3 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
29 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
S SKP 5
ID FL3FAAGS0042
FORMULA C24H22O12
EXACTMASS 502.111126168
AVERAGEMASS 502.42428
SMILES C(O)(C4O)C(OC(C4OC(C)=O)Oc(c1)cc(c(C(=O)3)c1OC(=C3)c(c2)ccc(c2)O)O)C(=O)OC
M END
