Mol:FL2FAACS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0054 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0054 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0054 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0054 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4491 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1072 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1072 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1072 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1072 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4491 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6635 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6635 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2198 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2198 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2198 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2198 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6635 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6635 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6635 -2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6635 -2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5615 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5615 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2037 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2037 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8093 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8093 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5524 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5524 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5455 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5455 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0822 0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0822 0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3872 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3872 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6023 2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6023 2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8441 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8441 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1878 0.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1878 0.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4491 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4491 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8378 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8378 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4240 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4240 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0102 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0102 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0102 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0102 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4240 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4240 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8378 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8378 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5961 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5961 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0822 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0822 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7111 -2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7111 -2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1766 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1766 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6608 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6608 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0356 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0356 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5032 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5032 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5961 -2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5961 -2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2897 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2897 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8703 -2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8703 -2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0364 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0364 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7509 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7509 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7598 -1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7598 -1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0453 -1.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0453 -1.5196 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 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 2 1 0 0 0 0 | + | 33 2 1 0 0 0 0 |
− | 18 39 1 0 0 0 0 | + | 18 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 43 | + | M SBL 1 1 43 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 43 -6.2289 5.6127 | + | M SBV 1 43 -6.2289 5.6127 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
− | M SBL 2 1 45 | + | M SBL 2 1 45 |
− | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
− | M SBV 2 45 -6.9091 6.3662 | + | M SBV 2 45 -6.9091 6.3662 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FAACS0003 | + | ID FL2FAACS0003 |
− | KNApSAcK_ID C00006398 | + | KNApSAcK_ID C00006398 |
− | NAME 6,8-Di-C-glucopyranosylnaringenin | + | NAME 6,8-Di-C-glucopyranosylnaringenin |
− | CAS_RN 81426-09-7 | + | CAS_RN 81426-09-7 |
− | FORMULA C27H32O15 | + | FORMULA C27H32O15 |
− | EXACTMASS 596.174120354 | + | EXACTMASS 596.174120354 |
− | AVERAGEMASS 596.5339799999999 | + | AVERAGEMASS 596.5339799999999 |
− | SMILES C(C1O)(OC(c(c35)c(c(c(O)c3C(=O)CC(O5)c(c4)ccc(O)c4)C(O2)C(C(C(C(CO)2)O)O)O)O)C(C1O)O)CO | + | SMILES C(C1O)(OC(c(c35)c(c(c(O)c3C(=O)CC(O5)c(c4)ccc(O)c4)C(O2)C(C(C(C(CO)2)O)O)O)O)C(C1O)O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.0054 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5524 0.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 0.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -2.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 0.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7111 -2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1766 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 -1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -2.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -2.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 -2.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7598 -1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 -1.5196 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 1 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 2 1 0 0 0 0 18 39 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 43 M SMT 1 CH2OH M SBV 1 43 -6.2289 5.6127 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 ^CH2OH M SBV 2 45 -6.9091 6.3662 S SKP 8 ID FL2FAACS0003 KNApSAcK_ID C00006398 NAME 6,8-Di-C-glucopyranosylnaringenin CAS_RN 81426-09-7 FORMULA C27H32O15 EXACTMASS 596.174120354 AVERAGEMASS 596.5339799999999 SMILES C(C1O)(OC(c(c35)c(c(c(O)c3C(=O)CC(O5)c(c4)ccc(O)c4)C(O2)C(C(C(C(CO)2)O)O)O)O)C(C1O)O)CO M END