Mol:FL1C1ANI0030
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
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− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C1ANI0030 | + | ID FL1C1ANI0030 |
− | KNApSAcK_ID C00014455 | + | KNApSAcK_ID C00014455 |
− | NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone | + | NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone |
− | CAS_RN 161099-60-1 | + | CAS_RN 161099-60-1 |
− | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
− | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
− | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
− | SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=O | + | SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 30 31 0 0 0 0 0 0 0 0999 V2000 -1.7862 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8563 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 2 7 1 0 0 0 0 6 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL1C1ANI0030 KNApSAcK_ID C00014455 NAME Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone CAS_RN 161099-60-1 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES Oc(c2CC(C(C)=C)O)ccc(c2O)C(C=Cc(c1)cc(c(O)c1)CC=C(C)C)=O M END