Mol:FL3FEAGS0024
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -0.3732 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3732 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3732 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3277 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3277 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0285 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0285 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0285 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0285 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3277 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3277 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7294 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7294 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4302 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4302 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4302 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4302 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7294 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7294 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7294 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7294 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1308 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1308 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8452 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8452 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5595 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5595 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5595 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5595 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8452 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8452 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1308 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1308 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3279 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3279 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0694 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0694 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9944 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9944 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4066 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4066 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5603 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5603 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7436 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7436 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3370 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3370 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0775 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0775 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4821 0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4821 0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6210 -0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6210 -0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0533 -0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0533 -0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8884 -0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8884 -0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.6790 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6790 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9629 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9629 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1901 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1901 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9629 1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9629 1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.6790 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6790 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.4518 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4518 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2055 0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2055 0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3201 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3201 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9065 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9065 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.1358 1.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1358 1.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.3018 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3018 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0520 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0520 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5834 -3.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5834 -3.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1917 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1917 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3018 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3018 0.6251 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 |
− | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 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 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 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 |
− | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
− | 36 26 1 0 0 0 0 | + | 36 26 1 0 0 0 0 |
− | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 30 40 1 0 0 0 0 | + | 30 40 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 2 41 1 0 0 0 0 | + | 2 41 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 15 43 1 0 0 0 0 | + | 15 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 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 0.6787 0.3314 | + | M SBV 1 46 0.6787 0.3314 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 48 | + | M SBL 2 1 48 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 48 -0.6322 -0.4409 | + | M SBV 2 48 -0.6322 -0.4409 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FEAGS0024 | + | ID FL3FEAGS0024 |
− | FORMULA C29H34O15 | + | FORMULA C29H34O15 |
− | EXACTMASS 622.189770418 | + | EXACTMASS 622.189770418 |
− | AVERAGEMASS 622.5712599999999 | + | AVERAGEMASS 622.5712599999999 |
− | SMILES c(c5)(ccc(OC)c5)C(=C1)Oc(c2)c(c(O)c(c2OC(C(O)3)OC(COC(O4)C(C(C(O)C(C)4)O)O)C(O)C(O)3)OC)C1=O | + | SMILES c(c5)(ccc(OC)c5)C(=C1)Oc(c2)c(c(O)c(c2OC(C(O)3)OC(COC(O4)C(C(C(O)C(C)4)O)O)C(O)C(O)3)OC)C1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.3732 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8452 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8452 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3279 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4066 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 -0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 -0.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -0.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 0.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3201 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9065 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1358 1.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3018 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -1.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -3.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3018 0.6251 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 18 3 1 0 0 0 0 19 1 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 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 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 31 36 1 0 0 0 0 36 26 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 35 39 1 0 0 0 0 30 40 1 0 0 0 0 23 19 1 0 0 0 0 41 42 1 0 0 0 0 2 41 1 0 0 0 0 43 44 1 0 0 0 0 15 43 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 0.6787 0.3314 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 -0.6322 -0.4409 S SKP 5 ID FL3FEAGS0024 FORMULA C29H34O15 EXACTMASS 622.189770418 AVERAGEMASS 622.5712599999999 SMILES c(c5)(ccc(OC)c5)C(=C1)Oc(c2)c(c(O)c(c2OC(C(O)3)OC(COC(O4)C(C(C(O)C(C)4)O)O)C(O)C(O)3)OC)C1=O M END