Mol:FLIBALCF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9374 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9374 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9374 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9374 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3811 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3811 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8248 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8248 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8248 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8248 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3811 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3811 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2685 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2685 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7122 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7122 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2685 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2685 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2685 -2.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2685 -2.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4935 -0.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4935 -0.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1357 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1357 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7413 1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7413 1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4844 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4844 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4775 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4775 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0142 0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0142 0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3192 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3192 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5343 2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5343 2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7761 2.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7761 2.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1198 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1198 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3811 -2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3811 -2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0736 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0736 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5126 -2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5126 -2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0988 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0988 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0988 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0988 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5126 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5126 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0736 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0736 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6595 -2.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6595 -2.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7426 -2.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -2.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1405 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1405 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7426 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8170 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8170 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1552 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1552 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1552 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1552 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4935 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4935 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8956 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8956 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 1.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 1.3037 0.0000 O 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 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 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 8 1 0 0 0 0 | + | 28 8 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 26 1 0 0 0 0 | + | 32 26 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 18 37 1 0 0 0 0 | + | 18 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 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 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 41 | + | M SBL 1 1 41 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 41 -8.1609 5.7375 | + | M SBV 1 41 -8.1609 5.7375 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALCF0001 | + | ID FLIBALCF0001 |
| − | KNApSAcK_ID C00006180 | + | KNApSAcK_ID C00006180 |
| − | NAME Dalpanin | + | NAME Dalpanin |
| − | CAS_RN 37376-13-9 | + | CAS_RN 37376-13-9 |
| − | FORMULA C26H30O12 | + | FORMULA C26H30O12 |
| − | EXACTMASS 534.173726424 | + | EXACTMASS 534.173726424 |
| − | AVERAGEMASS 534.5092 | + | AVERAGEMASS 534.5092 |
| − | SMILES OC(C1O)C(O)C(OC1c(c23)c(cc(O)c(C(C(c(c(O)4)cc(C5)c(OC(C(C)(C)O)5)c4)CO3)=O)2)O)CO | + | SMILES OC(C1O)C(O)C(OC1c(c23)c(cc(O)c(C(C(c(c(O)4)cc(C5)c(OC(C(C)(C)O)5)c4)CO3)=O)2)O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-2.9374 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9374 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -2.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4935 -0.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1357 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4844 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4775 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0142 0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3192 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5343 2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7761 2.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1198 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0736 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0736 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6595 -2.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -2.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1552 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1552 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4935 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8956 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 1.3037 0.0000 O 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 1 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 8 1 0 0 0 0
23 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 26 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
18 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 41
M SMT 1 CH2OH
M SBV 1 41 -8.1609 5.7375
S SKP 8
ID FLIBALCF0001
KNApSAcK_ID C00006180
NAME Dalpanin
CAS_RN 37376-13-9
FORMULA C26H30O12
EXACTMASS 534.173726424
AVERAGEMASS 534.5092
SMILES OC(C1O)C(O)C(OC1c(c23)c(cc(O)c(C(C(c(c(O)4)cc(C5)c(OC(C(C)(C)O)5)c4)CO3)=O)2)O)CO
M END
