Mol:FL5FBGGL0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8304 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8304 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8304 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8304 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2741 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7178 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7178 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7178 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7178 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2741 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1615 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6052 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6052 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6052 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6052 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1615 0.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 0.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1615 -1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1615 -1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0491 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0491 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5178 -0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 -0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0848 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0848 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0848 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0848 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5178 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0491 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0491 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3865 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3865 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0429 -1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0429 -1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0883 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0883 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7007 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7007 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4461 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4461 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1961 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1961 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5838 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5838 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8383 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8383 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3612 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3612 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1071 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1071 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9693 -0.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9693 -0.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6516 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6516 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5178 1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6516 -0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6516 -0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7106 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7106 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9961 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9961 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6721 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6721 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3865 -1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3865 -1.8629 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
− | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
− | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 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 32 33 | + | M SAL 1 2 32 33 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 35 -5.6759 5.2104 | + | M SBV 1 35 -5.6759 5.2104 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 34 35 | + | M SAL 2 2 34 35 |
− | M SBL 2 1 37 | + | M SBL 2 1 37 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 37 -4.7635 5.3879 | + | M SBV 2 37 -4.7635 5.3879 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FBGGL0001 | + | ID FL5FBGGL0001 |
− | KNApSAcK_ID C00005755 | + | KNApSAcK_ID C00005755 |
− | NAME Myricetin 5-methyl ether 3-glucoside | + | NAME Myricetin 5-methyl ether 3-glucoside |
− | CAS_RN 56691-93-1 | + | CAS_RN 56691-93-1 |
− | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
− | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
− | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
− | SMILES O(C(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(O1)C(O)C(C(C(CO)1)O)O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(O1)C(O)C(C(C(CO)1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.8304 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 0.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 -1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4461 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -0.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7106 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 -1.8629 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 14 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 23 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -5.6759 5.2104 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 34 35 M SBL 2 1 37 M SMT 2 CH2OH M SBV 2 37 -4.7635 5.3879 S SKP 8 ID FL5FBGGL0001 KNApSAcK_ID C00005755 NAME Myricetin 5-methyl ether 3-glucoside CAS_RN 56691-93-1 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES O(C(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(O1)C(O)C(C(C(CO)1)O)O M END