Mol:FL5FFAGL0009
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | 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 |
− | -2.0774 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0774 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3628 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3628 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6483 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6483 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6483 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6483 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3628 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3628 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0662 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0662 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7807 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7807 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7807 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7807 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0662 0.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0662 0.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0662 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0662 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6804 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6804 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4086 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4086 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1368 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1368 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1368 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1368 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4086 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4086 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6804 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6804 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3628 -2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3628 -2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9162 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9162 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5042 -1.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5042 -1.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7855 0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7855 0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5748 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5748 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1885 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1885 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9315 -1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9315 -1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6790 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6790 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0654 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0654 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3224 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3224 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8174 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8174 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7895 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7895 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7612 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7612 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1927 0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1927 0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5181 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5181 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7321 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7321 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5181 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5181 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1927 2.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1927 2.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9787 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9787 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8770 2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8770 2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5083 2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5083 2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6253 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6253 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7612 0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7612 0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4488 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4488 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4216 -2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4216 -2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3628 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3628 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8022 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8022 2.3501 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 |
− | 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 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 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
− | 32 21 1 0 0 0 0 | + | 32 21 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 6 43 1 0 0 0 0 | + | 6 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 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 46 -0.7698 -0.0135 | + | M SBV 1 46 -0.7698 -0.0135 |
− | 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 0.0000 -0.7890 | + | M SBV 2 48 0.0000 -0.7890 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FFAGL0009 | + | ID FL5FFAGL0009 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES OC(C5CO)C(O)C(O)C(O5)OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(OC)c(c2)OC(C1O)OC(C(O)C1O)C)=O | + | SMILES OC(C5CO)C(O)C(O)C(O5)OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(OC)c(c2)OC(C1O)OC(C(O)C1O)C)=O |
M END | M END | ||
− |
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 -2.0774 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 0.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 1.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -2.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9315 -1.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 -0.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 2.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7612 0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 -2.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 2.3501 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 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 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 20 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 21 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 43 44 1 0 0 0 0 6 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 CH2OH M SBV 1 46 -0.7698 -0.0135 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 0.0000 -0.7890 S SKP 5 ID FL5FFAGL0009 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C5CO)C(O)C(O)C(O5)OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(OC)c(c2)OC(C1O)OC(C(O)C1O)C)=O M END