Mol:FLII1CNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4828 -0.2560 0.0000 C 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 |
− | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
− | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
− | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
− | M SBL 2 1 22 | + | M SBL 2 1 22 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 22 1.7683 0.1565 | + | M SVB 2 22 1.7683 0.1565 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
− | M SBL 1 1 20 | + | M SBL 1 1 20 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 20 -2.4828 0.0779 | + | M SVB 1 20 -2.4828 0.0779 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLII1CNS0001 | + | ID FLII1CNS0001 |
− | KNApSAcK_ID C00002409 | + | KNApSAcK_ID C00002409 |
− | NAME Sainfuran | + | NAME Sainfuran |
− | CAS_RN 90664-32-7 | + | CAS_RN 90664-32-7 |
− | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
− | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
− | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
− | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 | + | SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)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/ 21 23 0 0 0 0 0 0 0 0999 V2000 -0.8752 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 0.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 -0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2149 0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 11 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 1.7683 0.1565 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.4828 0.0779 S SKP 8 ID FLII1CNS0001 KNApSAcK_ID C00002409 NAME Sainfuran CAS_RN 90664-32-7 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c3)cc(O)c(c3)c(c1)oc(c2)c(cc(O)c(OC)2)1 M END