Mol:FL3FABGS0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | -0.3604 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3604 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3604 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3604 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3406 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3406 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0417 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0417 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0417 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0417 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3406 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3406 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7426 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4437 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4437 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4437 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4437 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7426 0.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 0.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7426 -1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1444 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1444 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8589 0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8589 0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5734 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5734 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5734 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5734 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8589 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8589 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1444 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1444 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0612 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0612 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3406 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3406 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3349 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3349 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6938 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6938 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7707 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7707 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8798 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8798 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5271 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5271 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4701 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4701 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1176 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1176 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5794 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5794 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8806 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8806 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.8566 -1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8566 -1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1995 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1995 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3611 -1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3611 -1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5624 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5624 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7043 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7043 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4972 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4972 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3205 -1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3205 -1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1186 -2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1186 -2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5055 -1.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5055 -1.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2548 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2548 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.2766 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2766 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.3981 -1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3981 -1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2877 1.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2877 1.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3981 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3981 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9260 1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9260 1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9517 1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9517 1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4114 2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4114 2.0004 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 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 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 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 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
− | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
− | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 15 41 1 0 0 0 0 | + | 15 41 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
− | 25 43 1 0 0 0 0 | + | 25 43 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 3 38 39 40 | + | M SAL 1 3 38 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
− | M SBV 1 44 0.9343 -0.4491 | + | M SBV 1 44 0.9343 -0.4491 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
− | M SBL 2 1 46 | + | M SBL 2 1 46 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 46 -0.7143 -0.4125 | + | M SBV 2 46 -0.7143 -0.4125 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 3 43 44 45 | + | M SAL 3 3 43 44 45 |
− | M SBL 3 1 49 | + | M SBL 3 1 49 |
− | M SMT 3 ^ COOH | + | M SMT 3 ^ COOH |
− | M SBV 3 49 0.4558 -0.5562 | + | M SBV 3 49 0.4558 -0.5562 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FABGS0007 | + | ID FL3FABGS0007 |
− | FORMULA C28H28O17 | + | FORMULA C28H28O17 |
− | EXACTMASS 636.1326494699999 | + | EXACTMASS 636.1326494699999 |
− | AVERAGEMASS 636.51172 | + | AVERAGEMASS 636.51172 |
− | SMILES O(C)c(c5)ccc(c5)C(=C4)Oc(c(C4=O)3)cc(cc(O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O | + | SMILES O(C)c(c5)ccc(c5)C(=C4)Oc(c(C4=O)3)cc(cc(O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -0.3604 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 -1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8798 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5271 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1176 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8566 -1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1995 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 -1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 -1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5055 -1.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3981 -1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 1.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9517 1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 2.0004 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 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 3 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 29 30 1 0 0 0 0 33 28 1 0 0 0 0 23 18 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 35 38 1 0 0 0 0 41 42 1 0 0 0 0 15 41 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 25 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 38 39 40 M SBL 1 1 44 M SMT 1 ^ COOH M SBV 1 44 0.9343 -0.4491 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 OCH3 M SBV 2 46 -0.7143 -0.4125 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 43 44 45 M SBL 3 1 49 M SMT 3 ^ COOH M SBV 3 49 0.4558 -0.5562 S SKP 5 ID FL3FABGS0007 FORMULA C28H28O17 EXACTMASS 636.1326494699999 AVERAGEMASS 636.51172 SMILES O(C)c(c5)ccc(c5)C(=C4)Oc(c(C4=O)3)cc(cc(O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O M END