Mol:FL2FAAGS0024
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
− | 0.5801 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5801 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2927 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2927 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5833 -0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5833 -0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3000 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3000 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0127 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0127 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0090 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0090 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7290 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7290 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4416 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4416 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4380 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4380 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7217 0.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7217 0.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0917 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0917 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8078 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8078 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5207 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5207 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5175 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5175 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8014 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8014 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0885 1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0885 1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7300 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7300 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0454 0.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0454 0.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3000 -1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3000 -1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1362 2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1362 2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7448 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7448 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3322 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3322 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5339 0.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5339 0.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7404 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7404 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1529 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1529 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9513 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9513 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1847 0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1847 0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8693 0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8693 0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4192 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4192 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0865 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0865 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4738 1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4738 1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6026 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6026 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1939 -1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1939 -1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4265 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4265 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8385 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8385 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6624 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6624 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0749 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0749 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8999 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8999 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3124 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3124 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8999 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8999 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0749 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0749 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.1362 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1362 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 6 1 0 0 0 0 | + | 10 6 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FAAGS0024 | + | ID FL2FAAGS0024 |
− | KNApSAcK_ID C00014318 | + | KNApSAcK_ID C00014318 |
− | NAME Naringenin 7-(2-p-Coumaroylglucoside);5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside) | + | NAME Naringenin 7-(2-p-Coumaroylglucoside);5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside) |
− | CAS_RN 172089-70-2 | + | CAS_RN 172089-70-2 |
− | FORMULA C30H28O12 | + | FORMULA C30H28O12 |
− | EXACTMASS 580.15807636 | + | EXACTMASS 580.15807636 |
− | AVERAGEMASS 580.53612 | + | AVERAGEMASS 580.53612 |
− | SMILES O(C(C4OC(=O)C=Cc(c5)ccc(c5)O)OC(C(C4O)O)CO)c(c3)cc(c(c31)C(=O)CC(c(c2)ccc(O)c2)O1)O | + | SMILES O(C(C4OC(=O)C=Cc(c5)ccc(c5)O)OC(C(C4O)O)CO)c(c3)cc(c(c31)C(=O)CC(c(c2)ccc(O)c2)O1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 0.5801 0.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -0.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -0.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 0.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5207 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5175 1.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 0.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 2.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7448 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 0.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9513 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8693 0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 -1.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 -0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6624 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8999 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3124 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8999 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1362 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 24 18 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 27 32 1 0 0 0 0 S SKP 8 ID FL2FAAGS0024 KNApSAcK_ID C00014318 NAME Naringenin 7-(2-p-Coumaroylglucoside);5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside) CAS_RN 172089-70-2 FORMULA C30H28O12 EXACTMASS 580.15807636 AVERAGEMASS 580.53612 SMILES O(C(C4OC(=O)C=Cc(c5)ccc(c5)O)OC(C(C4O)O)CO)c(c3)cc(c(c31)C(=O)CC(c(c2)ccc(O)c2)O1)O M END