Mol:FL1C98NS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 18 19 0 0 0 0 0 0 0 0999 V2000 | + | 18 19 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2297 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2297 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6734 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6734 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1171 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1171 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1171 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1171 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6734 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6734 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5608 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5608 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0045 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0045 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5516 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5516 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1077 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1077 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2297 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2297 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1077 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1077 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5608 -0.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5608 -0.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6734 -0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6734 -0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -0.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.9716 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 |
− | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
− | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C98NS0001 | + | ID FL1C98NS0001 |
− | KNApSAcK_ID C00006918 | + | KNApSAcK_ID C00006918 |
− | NAME 2,2'-Dihydroxychalcone | + | NAME 2,2'-Dihydroxychalcone |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C15H12O3 | + | FORMULA C15H12O3 |
− | EXACTMASS 240.07864425 | + | EXACTMASS 240.07864425 |
− | AVERAGEMASS 240.25398 | + | AVERAGEMASS 240.25398 |
− | SMILES Oc(c2)c(ccc2)C=CC(=O)c(c1)c(O)ccc1 | + | SMILES Oc(c2)c(ccc2)C=CC(=O)c(c1)c(O)ccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 18 19 0 0 0 0 0 0 0 0999 V2000 -2.2297 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 -0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 -0.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -0.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.9716 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 3 17 1 0 0 0 0 11 18 1 0 0 0 0 S SKP 8 ID FL1C98NS0001 KNApSAcK_ID C00006918 NAME 2,2'-Dihydroxychalcone CAS_RN - FORMULA C15H12O3 EXACTMASS 240.07864425 AVERAGEMASS 240.25398 SMILES Oc(c2)c(ccc2)C=CC(=O)c(c1)c(O)ccc1 M END