Mol:FL5FFCGA0005
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 |
− | -3.5650 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5650 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5650 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5650 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8640 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8640 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1630 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1630 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1630 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1630 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8640 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8640 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4620 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4620 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7609 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7609 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7609 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7609 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4620 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4620 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4620 -1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4620 -1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0602 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0602 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6543 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6543 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3688 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3688 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3688 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3688 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6543 2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6543 2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0602 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0602 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8640 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8640 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3939 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3939 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9054 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9054 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8448 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7899 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7899 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2658 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2658 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3390 -2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3390 -2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5747 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5747 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1822 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1822 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6937 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6937 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6332 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6332 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5782 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5782 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0668 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0668 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1274 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1274 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0562 -0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0562 -0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4949 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4949 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0270 0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0270 0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4546 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4546 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1033 -0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1033 -0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2266 -2.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2266 -2.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3767 -3.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3767 -3.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8119 -3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8119 -3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3840 0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3840 0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2658 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2658 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0831 2.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 2.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6543 3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6543 3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8640 2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8640 2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3138 3.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3138 3.1777 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 |
− | 16 43 1 0 0 0 0 | + | 16 43 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 6 44 1 0 0 0 0 | + | 6 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 -0.7511 | + | M SBV 1 49 0.0000 -0.7511 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFCGA0005 | + | ID FL5FFCGA0005 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES Oc(c1)c(O)cc(C(O5)=C(C(=O)c(c54)c(cc(O)c(OC)4)O)OC(O2)C(C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)O)c1 | + | SMILES Oc(c1)c(O)cc(C(O5)=C(C(=O)c(c54)c(cc(O)c(OC)4)O)OC(O2)C(C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)O)c1 |
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 -3.5650 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 -1.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9054 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2658 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -0.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 -0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0562 -0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4546 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 -0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2266 -2.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -3.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2658 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 2.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 3.1777 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 16 43 1 0 0 0 0 44 45 1 0 0 0 0 6 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 -0.7511 S SKP 5 ID FL5FFCGA0005 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES Oc(c1)c(O)cc(C(O5)=C(C(=O)c(c54)c(cc(O)c(OC)4)O)OC(O2)C(C(C(C2COC(O3)C(C(C(O)C(C)3)O)O)O)O)O)c1 M END