Mol:FL3FECGS0039
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 |
| − | -0.5852 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5852 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5852 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5852 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1291 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1291 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8435 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8435 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8435 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8435 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1291 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1291 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5577 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5577 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2722 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2722 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2723 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2723 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5577 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5577 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9863 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9863 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7143 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7143 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4424 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4424 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4423 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4423 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7142 1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7142 1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9863 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9863 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1304 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1304 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3645 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3645 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1703 1.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1703 1.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3879 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3879 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8162 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8162 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9931 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9931 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1988 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1988 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7759 0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7759 0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4961 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4961 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1703 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1703 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6424 -0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6424 -0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2468 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2468 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9173 0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9173 0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7143 2.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7143 2.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6855 0.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6855 0.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2388 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2388 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4602 -2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4602 -2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5383 1.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5383 1.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9667 1.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9667 1.2578 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 30 32 2 0 0 0 0 | + | 30 32 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 30 35 1 0 0 0 0 | + | 30 35 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 37 0.6536 0.3774 | + | M SBV 1 37 0.6536 0.3774 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 39 | + | M SBL 2 1 39 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 39 -0.3790 -0.6565 | + | M SBV 2 39 -0.3790 -0.6565 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0039 | + | ID FL3FECGS0039 |
| − | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
| − | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
| − | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
| − | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC | + | SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC |
M END | M END | ||
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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
-0.5852 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5852 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1291 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8435 -0.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8435 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1291 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5577 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2722 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2723 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 0.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5577 -2.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9863 0.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7143 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4424 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4423 1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7142 1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9863 1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1304 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3645 0.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1703 1.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3879 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8162 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9931 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1988 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7759 0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4961 0.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1703 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6424 -0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2468 -0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9173 0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7143 2.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6855 0.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2388 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4602 -2.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5383 1.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9667 1.2578 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
3 18 1 0 0 0 0
19 1 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 19 1 0 0 0 0
26 30 1 0 0 0 0
16 31 1 0 0 0 0
30 32 2 0 0 0 0
33 34 1 0 0 0 0
2 33 1 0 0 0 0
35 36 1 0 0 0 0
30 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 ^ OCH3
M SBV 1 37 0.6536 0.3774
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 39
M SMT 2 OCH3
M SBV 2 39 -0.3790 -0.6565
S SKP 5
ID FL3FECGS0039
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES O=C(C(O1)C(O)C(O)C(O)C(Oc(c4)c(OC)c(c(c34)C(=O)C=C(O3)c(c2)ccc(c2O)O)O)1)OC
M END
