Mol:FL7AAIGO0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7051 3.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7051 3.6497 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 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 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 35 -0.7254 0.4188 | + | M SBV 1 35 -0.7254 0.4188 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
− | M SBL 2 1 37 | + | M SBL 2 1 37 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 37 0.0000 -0.7228 | + | M SBV 2 37 0.0000 -0.7228 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAIGS0003 | + | ID FL7AAIGS0003 |
− | FORMULA C23H25O11 | + | FORMULA C23H25O11 |
− | EXACTMASS 477.139686642 | + | EXACTMASS 477.139686642 |
− | AVERAGEMASS 477.43800000000005 | + | AVERAGEMASS 477.43800000000005 |
− | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1 | + | SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -3.1620 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7331 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 0.5134 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4101 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4101 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 1.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 -1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -2.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 -3.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 -2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 2.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 3.6497 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 20 1 0 0 0 0 31 32 1 0 0 0 0 13 31 1 0 0 0 0 33 34 1 0 0 0 0 15 33 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -0.7254 0.4188 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 0.0000 -0.7228 S SKP 5 ID FL7AAIGS0003 FORMULA C23H25O11 EXACTMASS 477.139686642 AVERAGEMASS 477.43800000000005 SMILES O(C(O4)C(C(C(O)C4C)O)O)c(c1)c(c(c3)cc(c(c(OC)3)O)OC)[o+1]c(c2)c(c(O)cc(O)2)1 M END