Mol:FL7ABGNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1286 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1286 -1.7471 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 24 -7.9640 7.5490 | + | M SBV 1 24 -7.9640 7.5490 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7ABGNS0001 | + | ID FL7ABGNS0001 |
− | KNApSAcK_ID C00006617 | + | KNApSAcK_ID C00006617 |
− | NAME Pulchellidin | + | NAME Pulchellidin |
− | CAS_RN 19077-86-2 | + | CAS_RN 19077-86-2 |
− | FORMULA C16H13O7 | + | FORMULA C16H13O7 |
− | EXACTMASS 317.06612777 | + | EXACTMASS 317.06612777 |
− | AVERAGEMASS 317.27022 | + | AVERAGEMASS 317.27022 |
− | SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1 | + | SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)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/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.8183 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.7471 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 15 20 1 0 0 0 0 13 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -7.9640 7.5490 S SKP 8 ID FL7ABGNS0001 KNApSAcK_ID C00006617 NAME Pulchellidin CAS_RN 19077-86-2 FORMULA C16H13O7 EXACTMASS 317.06612777 AVERAGEMASS 317.27022 SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c(O)2)c(c1)cc(O)c(O)c(O)1 M END