Mol:FL2FA9NC0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8452 -1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.9156 0.0000 C 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 1 0 0 0 0 | + | 8 9 1 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 |
− | 9 11 1 0 0 0 0 | + | 9 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 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 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
− | M SBL 1 1 30 | + | M SBL 1 1 30 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 30 -8.5263 5.3179 | + | M SBV 1 30 -8.5263 5.3179 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NC0003 | + | ID FL2FA9NC0003 |
− | KNApSAcK_ID C00008181 | + | KNApSAcK_ID C00008181 |
− | NAME 5-O-Methylchamanetin | + | NAME 5-O-Methylchamanetin |
− | CAS_RN 100348-95-6 | + | CAS_RN 100348-95-6 |
− | FORMULA C23H20O5 | + | FORMULA C23H20O5 |
− | EXACTMASS 376.13107375 | + | EXACTMASS 376.13107375 |
− | AVERAGEMASS 376.4019 | + | AVERAGEMASS 376.4019 |
− | SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 | + | SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.9156 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 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 24 25 2 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 30 M SMT 1 OCH3 M SBV 1 30 -8.5263 5.3179 S SKP 8 ID FL2FA9NC0003 KNApSAcK_ID C00008181 NAME 5-O-Methylchamanetin CAS_RN 100348-95-6 FORMULA C23H20O5 EXACTMASS 376.13107375 AVERAGEMASS 376.4019 SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 M END