Mol:FL7AEGGL0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
− | -2.5273 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5273 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5273 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5273 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8128 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0984 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0984 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0984 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8128 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3839 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3306 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3306 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3306 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3839 1.4549 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3839 1.4549 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 1.1071 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8216 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5360 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5360 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5360 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5360 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8216 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1071 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1071 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1762 2.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1762 2.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1891 -0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1891 -0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1073 1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1073 1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8128 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8128 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8216 3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2010 1.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2010 1.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5637 -2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3624 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3624 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3733 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8033 -1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8033 -1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0044 -1.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0044 -1.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9934 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3870 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3870 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9008 -3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9008 -3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9933 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9933 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9445 -2.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9445 -2.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0073 -2.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0073 -2.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2992 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2992 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3098 -1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3098 -1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5804 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5804 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8723 -2.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8723 -2.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8829 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8829 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0491 -2.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0491 -2.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2010 -0.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2010 -0.1716 0.0000 O 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 13 22 1 0 0 0 0 | + | 13 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
− | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 39 29 1 0 0 0 0 | + | 39 29 1 0 0 0 0 |
− | 2 40 1 0 0 0 0 | + | 2 40 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7AEGGL0002 | + | ID FL7AEGGL0002 |
− | KNApSAcK_ID C00014823 | + | KNApSAcK_ID C00014823 |
− | NAME 6-Hydroxydelphinidin 3-(6-malonylglucoside) | + | NAME 6-Hydroxydelphinidin 3-(6-malonylglucoside) |
− | CAS_RN 478693-92-4 | + | CAS_RN 478693-92-4 |
− | FORMULA C24H23O16 | + | FORMULA C24H23O16 |
− | EXACTMASS 567.098609688 | + | EXACTMASS 567.098609688 |
− | AVERAGEMASS 567.42982 | + | AVERAGEMASS 567.42982 |
− | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c2c(c3)cc(c(c(O)3)O)O)cc(c1[o+1]2)c(c(O)c(c1)O)O | + | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c2c(c3)cc(c(c(O)3)O)O)cc(c1[o+1]2)c(c(O)c(c1)O)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/ 40 43 0 0 0 0 0 0 0 0999 V2000 -2.5273 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 1.4549 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.1071 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 2.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -1.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 -2.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 -2.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -2.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8829 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -2.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -0.1716 0.0000 O 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 29 1 0 0 0 0 2 40 1 0 0 0 0 S SKP 8 ID FL7AEGGL0002 KNApSAcK_ID C00014823 NAME 6-Hydroxydelphinidin 3-(6-malonylglucoside) CAS_RN 478693-92-4 FORMULA C24H23O16 EXACTMASS 567.098609688 AVERAGEMASS 567.42982 SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c2c(c3)cc(c(c(O)3)O)O)cc(c1[o+1]2)c(c(O)c(c1)O)O M END