Mol:FL3FCANS0001
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 |
− | -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7250 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7250 1.6032 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 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 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 |
− | 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 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 SVB 1 22 -2.2249 0.7372 | + | M SVB 1 22 -2.2249 0.7372 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FCANS0001 | + | ID FL3FCANS0001 |
− | KNApSAcK_ID C00001043 | + | KNApSAcK_ID C00001043 |
− | NAME Genkwanin | + | NAME Genkwanin |
− | CAS_RN 437-64-9 | + | CAS_RN 437-64-9 |
− | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
− | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
− | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
− | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(O)c2 |
M END | M END | ||
− |
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 -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 1.6032 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 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 SVB 1 22 -2.2249 0.7372 S SKP 8 ID FL3FCANS0001 KNApSAcK_ID C00001043 NAME Genkwanin CAS_RN 437-64-9 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(O)c2 M END