Mol:FL5FFGNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9630 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9630 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5191 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5191 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5191 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.7816 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
− | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
− | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFGNS0001 | + | ID FL5FFGNS0001 |
− | KNApSAcK_ID C00004841 | + | KNApSAcK_ID C00004841 |
− | NAME Hibiscetin | + | NAME Hibiscetin |
− | CAS_RN 577-24-2 | + | CAS_RN 577-24-2 |
− | FORMULA C15H10O9 | + | FORMULA C15H10O9 |
− | EXACTMASS 334.03248191800003 | + | EXACTMASS 334.03248191800003 |
− | AVERAGEMASS 334.2345 | + | AVERAGEMASS 334.2345 |
− | SMILES Oc(c1)c(O)c(O)cc1C(O2)=C(O)C(=O)c(c(O)3)c2c(O)c(O)c3 | + | SMILES Oc(c1)c(O)c(O)cc1C(O2)=C(O)C(=O)c(c(O)3)c2c(O)c(O)c3 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.7816 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 S SKP 8 ID FL5FFGNS0001 KNApSAcK_ID C00004841 NAME Hibiscetin CAS_RN 577-24-2 FORMULA C15H10O9 EXACTMASS 334.03248191800003 AVERAGEMASS 334.2345 SMILES Oc(c1)c(O)c(O)cc1C(O2)=C(O)C(=O)c(c(O)3)c2c(O)c(O)c3 M END