Mol:FL1CHXNS0001
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 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0069 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 0.6379 0.0000 O 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CHXNS0001 | + | ID FL1CHXNS0001 |
− | KNApSAcK_ID C00006978 | + | KNApSAcK_ID C00006978 |
− | NAME 3,4,2',4',alpha-Pentahydroxychalcone | + | NAME 3,4,2',4',alpha-Pentahydroxychalcone |
− | CAS_RN 38681-20-8 | + | CAS_RN 38681-20-8 |
− | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
− | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
− | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
− | SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)=Cc(c1)cc(O)c(O)c1 | + | SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)=Cc(c1)cc(O)c(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 -2.2321 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 0.6379 0.0000 O 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 13 19 1 0 0 0 0 12 20 1 0 0 0 0 8 21 1 0 0 0 0 S SKP 8 ID FL1CHXNS0001 KNApSAcK_ID C00006978 NAME 3,4,2',4',alpha-Pentahydroxychalcone CAS_RN 38681-20-8 FORMULA C15H12O6 EXACTMASS 288.063388116 AVERAGEMASS 288.25218 SMILES Oc(c2)cc(O)c(c2)C(=O)C(O)=Cc(c1)cc(O)c(O)c1 M END