Mol:FL5FAHGL0002
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 |
− | -3.3588 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3588 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3588 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3588 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6577 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6577 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9567 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9567 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9567 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9567 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6577 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6577 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2557 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2557 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5547 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5547 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5547 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5547 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2557 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2557 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2557 -1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2557 -1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1461 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1461 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8606 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8606 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5751 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5751 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5751 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5751 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8606 2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8606 2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1461 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1461 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6577 -1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6577 -1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1464 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1464 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6579 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6579 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5973 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5973 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5424 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5424 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0595 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0595 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0915 -2.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0915 -2.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2653 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2653 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3265 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3265 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8381 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8381 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7775 -0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7775 -0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7225 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7225 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2112 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2112 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2718 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2718 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2050 -0.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2050 -0.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8043 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8043 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9491 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9491 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3927 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3927 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8338 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8338 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0602 -3.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0602 -3.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0054 -3.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0054 -3.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5424 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5424 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6340 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6340 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0595 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0595 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1900 2.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1900 2.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1436 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1436 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8606 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8606 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4167 4.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4167 4.0442 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 20 1 0 0 0 0 | + | 19 20 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
− | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 23 36 1 0 0 0 0 | + | 23 36 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
− | 21 38 1 0 0 0 0 | + | 21 38 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 32 8 1 0 0 0 0 | + | 32 8 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 26 40 1 0 0 0 0 | + | 26 40 1 0 0 0 0 |
− | 1 41 1 0 0 0 0 | + | 1 41 1 0 0 0 0 |
− | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
− | 14 43 1 0 0 0 0 | + | 14 43 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 16 44 1 0 0 0 0 | + | 16 44 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 44 45 | + | M SAL 1 2 44 45 |
− | M SBL 1 1 49 | + | M SBL 1 1 49 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 49 0.0000 -0.7024 | + | M SBV 1 49 0.0000 -0.7024 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAHGL0002 | + | ID FL5FAHGL0002 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES C(O)(C(OC(=C(c(c5)cc(OC)c(c5O)O)3)C(=O)c(c(O)4)c(cc(c4)O)O3)1)C(C(C(COC(O2)C(C(C(O)C(C)2)O)O)O1)O)O | + | SMILES C(O)(C(OC(=C(c(c5)cc(OC)c(c5O)O)3)C(=O)c(c(O)4)c(cc(c4)O)O3)1)C(C(C(COC(O2)C(C(C(O)C(C)2)O)O)O1)O)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 -3.3588 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 0.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 0.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -1.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 2.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 -3.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0915 -2.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 -1.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3927 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -3.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 -3.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0595 0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 0.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 4.0442 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 20 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 19 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 33 1 0 0 0 0 30 34 1 0 0 0 0 29 35 1 0 0 0 0 23 36 1 0 0 0 0 35 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 32 8 1 0 0 0 0 27 32 1 0 0 0 0 26 40 1 0 0 0 0 1 41 1 0 0 0 0 15 42 1 0 0 0 0 14 43 1 0 0 0 0 44 45 1 0 0 0 0 16 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 49 M SMT 1 OCH3 M SBV 1 49 0.0000 -0.7024 S SKP 5 ID FL5FAHGL0002 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES C(O)(C(OC(=C(c(c5)cc(OC)c(c5O)O)3)C(=O)c(c(O)4)c(cc(c4)O)O3)1)C(C(C(COC(O2)C(C(C(O)C(C)2)O)O)O1)O)O M END