Mol:FL5FADGS0009
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4612 2.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4612 2.8134 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 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 16 32 1 0 0 0 0 | + | 16 32 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 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 36 | + | M SBL 1 1 36 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 36 0.0059 -0.7385 | + | M SBV 1 36 0.0059 -0.7385 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FADGS0009 | + | ID FL5FADGS0009 |
− | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
− | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
− | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
− | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C | + | SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.3999 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -0.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -2.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -2.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1722 -1.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 -0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 0.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 1.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4621 2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -0.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 2.8134 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 32 33 1 0 0 0 0 16 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 0.0059 -0.7385 S SKP 5 ID FL5FADGS0009 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(cc2OC(C3O)OC(C(O)C3O)C)O)C M END