Mol:FL1C1LNI0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
− | 1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5724 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2868 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0013 -3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0013 -3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0000 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8579 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0013 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0013 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0013 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0013 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 -2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -2.6813 0.0000 O 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 |
− | 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 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 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 |
− | 12 18 1 0 0 0 0 | + | 12 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 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C1LNI0004 | + | ID FL1C1LNI0004 |
− | KNApSAcK_ID C00014481 | + | KNApSAcK_ID C00014481 |
− | NAME Demethoxyisogemichalcone C;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone | + | NAME Demethoxyisogemichalcone C;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone |
− | CAS_RN 376362-05-9 | + | CAS_RN 376362-05-9 |
− | FORMULA C29H26O8 | + | FORMULA C29H26O8 |
− | EXACTMASS 502.162767808 | + | EXACTMASS 502.162767808 |
− | AVERAGEMASS 502.51194 | + | AVERAGEMASS 502.51194 |
− | SMILES Oc(c1CC=C(C)COC(=O)C=Cc(c3)ccc(c3)O)c(C(=O)C=Cc(c2)c(cc(O)c2)O)ccc1O | + | SMILES Oc(c1CC=C(C)COC(=O)C=Cc(c3)ccc(c3)O)c(C(=O)C=Cc(c2)c(cc(O)c2)O)ccc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 37 39 0 0 0 0 0 0 0 0999 V2000 1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.6813 0.0000 O 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 12 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 S SKP 8 ID FL1C1LNI0004 KNApSAcK_ID C00014481 NAME Demethoxyisogemichalcone C;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone CAS_RN 376362-05-9 FORMULA C29H26O8 EXACTMASS 502.162767808 AVERAGEMASS 502.51194 SMILES Oc(c1CC=C(C)COC(=O)C=Cc(c3)ccc(c3)O)c(C(=O)C=Cc(c2)c(cc(O)c2)O)ccc1O M END