Mol:FLIDHXNI0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIDHXNI0002 | + | ID FLIDHXNI0002 |
− | KNApSAcK_ID C00009687 | + | KNApSAcK_ID C00009687 |
− | NAME Sandwicarpin;6a-Hydroxyphaseollidin | + | NAME Sandwicarpin;6a-Hydroxyphaseollidin |
− | CAS_RN 74515-45-0 | + | CAS_RN 74515-45-0 |
− | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
− | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
− | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
− | SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c1ccc(O)2 | + | SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c1ccc(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FLIDHXNI0002 KNApSAcK_ID C00009687 NAME Sandwicarpin;6a-Hydroxyphaseollidin CAS_RN 74515-45-0 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES c(c43)(ccc(O)c4)C(C(CO3)(O)1)Oc(c(CC=C(C)C)2)c1ccc(O)2 M END