Mol:FLNABENS0001
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 |
− | -1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8223 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.9232 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
− | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 5 11 1 0 0 0 0 | + | 5 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 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 14 22 1 0 0 0 0 | + | 14 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 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 22 -5.6394 5.1317 | + | M SBV 1 22 -5.6394 5.1317 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
− | M SBL 2 1 24 | + | M SBL 2 1 24 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 24 -5.6385 5.1372 | + | M SBV 2 24 -5.6385 5.1372 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLNABENS0001 | + | ID FLNABENS0001 |
− | KNApSAcK_ID C00010243 | + | KNApSAcK_ID C00010243 |
− | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin | + | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin |
− | CAS_RN 91780-05-1 | + | CAS_RN 91780-05-1 |
− | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
− | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
− | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
− | SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1 | + | SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=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 -1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 -1.9232 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 15 19 1 0 0 0 0 10 20 1 0 0 0 0 20 21 1 0 0 0 0 14 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 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -5.6394 5.1317 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SBV 2 24 -5.6385 5.1372 S SKP 8 ID FLNABENS0001 KNApSAcK_ID C00010243 NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin CAS_RN 91780-05-1 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1 M END