Mol:FL1CA9NI0003
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
− | 2.2866 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2866 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8429 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8429 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3992 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3992 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3992 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3992 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8429 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8429 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0296 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0296 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5859 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5859 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4735 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4735 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0874 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0874 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4735 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4735 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0874 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0874 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6400 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6400 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1927 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1927 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1927 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1927 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6400 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6400 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6400 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6400 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7452 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7452 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7452 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7452 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2965 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2965 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8479 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8479 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3992 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3992 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8479 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8479 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4864 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4864 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2008 0.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2008 0.5594 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 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
− | M SBL 1 1 25 | + | M SBL 1 1 25 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 25 -4.7255 4.3873 | + | M SBV 1 25 -4.7255 4.3873 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CA9NI0003 | + | ID FL1CA9NI0003 |
− | KNApSAcK_ID C00007083 | + | KNApSAcK_ID C00007083 |
− | NAME 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone | + | NAME 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
− | CAS_RN 116107-09-6 | + | CAS_RN 116107-09-6 |
− | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
− | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
− | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
− | SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)C=Cc(c1)cccc1 | + | SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)C=Cc(c1)cccc1 |
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 26 0 0 0 0 0 0 0 0999 V2000 2.2866 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1927 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 0.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 0.5594 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 25 M SMT 1 OCH3 M SBV 1 25 -4.7255 4.3873 S SKP 8 ID FL1CA9NI0003 KNApSAcK_ID C00007083 NAME 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone CAS_RN 116107-09-6 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)C=Cc(c1)cccc1 M END