Mol:FL5FDCGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5036 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5036 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5036 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5036 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7889 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7889 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0742 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0742 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0742 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0742 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7889 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7889 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6405 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6405 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3552 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3552 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3552 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3552 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6405 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6405 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6405 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6405 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0697 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0697 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7981 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7981 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5266 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5266 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5266 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5266 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7981 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7981 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0697 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0697 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1599 -0.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1599 -0.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2283 0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2283 0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8036 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8036 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 2.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 2.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7479 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7479 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4761 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4761 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0536 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0536 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8773 2.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8773 2.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1986 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1986 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0959 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0959 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1250 2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1250 2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7768 1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7768 1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5579 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5579 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8831 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8831 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0972 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0972 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8831 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8831 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5579 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5579 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3438 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3438 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2627 2.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2627 2.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8526 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8526 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9081 1.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9081 1.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2283 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2283 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7889 -2.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7889 -2.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1034 -1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1034 -1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2161 -2.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2161 -2.6082 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 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 |
| − | 20 24 1 0 0 0 0 | + | 20 24 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 18 1 0 0 0 0 | + | 31 18 1 0 0 0 0 |
| − | 3 40 1 0 0 0 0 | + | 3 40 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 8 41 1 0 0 0 0 | + | 8 41 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 46 -0.7482 0.4320 | + | M SBV 1 46 -0.7482 0.4320 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDCGS0009 | + | ID FL5FDCGS0009 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES c(C(=C(OC)3)Oc(c4)c(c(O)cc4OC(C(O)5)OC(C)C(O)C5O)C3=O)(c1)ccc(O)c1OC(O2)C(O)C(O)C(O)C2 | + | SMILES c(C(=C(OC)3)Oc(c4)c(c(O)cc4OC(C(O)5)OC(C)C(O)C5O)C3=O)(c1)ccc(O)c1OC(O2)C(O)C(O)C(O)C2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.5036 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5036 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6405 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2283 0.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8036 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 2.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7479 1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0536 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 2.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1986 2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0959 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1250 2.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5579 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8831 -0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0972 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8831 1.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5579 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3438 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 2.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8526 1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9081 1.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2283 -0.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7889 -2.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1034 -1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 -2.6082 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
19 15 1 0 0 0 0
16 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
20 24 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 18 1 0 0 0 0
3 40 1 0 0 0 0
41 42 1 0 0 0 0
8 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.7482 0.4320
S SKP 5
ID FL5FDCGS0009
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(C(=C(OC)3)Oc(c4)c(c(O)cc4OC(C(O)5)OC(C)C(O)C5O)C3=O)(c1)ccc(O)c1OC(O2)C(O)C(O)C(O)C2
M END
