Mol:FL5FACGL0019
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -3.5516 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5516 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5516 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5516 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9953 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9953 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4390 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4390 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4390 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4390 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9953 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9953 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8827 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8827 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3264 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3264 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3264 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3264 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8827 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8827 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8827 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8827 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6259 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0589 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0589 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5080 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5080 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5080 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5080 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0589 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0589 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6259 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6259 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9953 -1.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9953 -1.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1149 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1149 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7631 -1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 -1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0589 1.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0589 1.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2161 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2161 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3503 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3503 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0494 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0494 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6279 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6279 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2099 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2099 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5108 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5108 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9323 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9323 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2084 -1.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2084 -1.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1705 -0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1705 -0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9448 -1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9448 -1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2890 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2890 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9882 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9882 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5667 1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5667 1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1486 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1486 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4495 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4495 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8710 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8710 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7303 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7303 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1092 1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1092 1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8836 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8836 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5629 -1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5629 -1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2773 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2773 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5016 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5016 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2161 0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2161 0.7223 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 |
− | 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
− | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
− | 33 19 1 0 0 0 0 | + | 33 19 1 0 0 0 0 |
− | 26 41 1 0 0 0 0 | + | 26 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 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 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 45 -7.6701 5.3382 | + | M SBV 1 45 -7.6701 5.3382 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 47 | + | M SBL 2 1 47 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 47 -7.6701 5.3382 | + | M SBV 2 47 -7.6701 5.3382 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGL0019 | + | ID FL5FACGL0019 |
− | KNApSAcK_ID C00005436 | + | KNApSAcK_ID C00005436 |
− | NAME Quercetin 3,4'-diglucoside | + | NAME Quercetin 3,4'-diglucoside |
− | CAS_RN 29125-80-2 | + | CAS_RN 29125-80-2 |
− | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
− | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
− | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
− | SMILES O(C(=C(c(c5)ccc(c(O)5)OC(O4)C(C(C(O)C(CO)4)O)O)2)C(c(c(O)3)c(cc(O)c3)O2)=O)C(C(O)1)OC(C(C(O)1)O)CO | + | SMILES O(C(=C(c(c5)ccc(c(O)5)OC(O4)C(C(C(O)C(CO)4)O)O)2)C(c(c(O)3)c(cc(O)c3)O2)=O)C(C(O)1)OC(C(C(O)1)O)CO |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -3.5516 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -1.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 1.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 0.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3503 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0494 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 -0.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2084 -1.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 -0.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9448 -1.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4495 1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7303 1.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 0.7223 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 1 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 20 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 33 19 1 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -7.6701 5.3382 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -7.6701 5.3382 S SKP 8 ID FL5FACGL0019 KNApSAcK_ID C00005436 NAME Quercetin 3,4'-diglucoside CAS_RN 29125-80-2 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES O(C(=C(c(c5)ccc(c(O)5)OC(O4)C(C(C(O)C(CO)4)O)O)2)C(c(c(O)3)c(cc(O)c3)O2)=O)C(C(O)1)OC(C(C(O)1)O)CO M END