Mol:FL5FACGS0059
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3722 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3722 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3722 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3722 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8159 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8159 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2596 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2596 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2596 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2596 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8159 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8159 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2967 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2967 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8530 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8530 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8530 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8530 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2967 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2967 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2967 -2.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2967 -2.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5535 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5535 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1205 -1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1205 -1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6875 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6875 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6875 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6875 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1205 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1205 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5535 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5535 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0367 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0367 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8159 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8159 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4370 -2.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4370 -2.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6458 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6458 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6458 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6458 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2543 -0.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2543 -0.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1205 0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1205 0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2543 0.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2543 0.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9111 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9111 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6724 1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6724 1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1196 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1196 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3823 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3823 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5196 1.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5196 1.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0720 1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0720 1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3972 2.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3972 2.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3587 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3587 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8275 1.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8275 1.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2005 2.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2005 2.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9974 2.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9974 2.5974 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 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
− | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
− | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
− | 27 33 1 0 0 0 0 | + | 27 33 1 0 0 0 0 |
− | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 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 35 36 | + | M SAL 1 2 35 36 |
− | M SBL 1 1 38 | + | M SBL 1 1 38 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 38 -6.7877 6.0963 | + | M SBV 1 38 -6.7877 6.0963 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGS0059 | + | ID FL5FACGS0059 |
− | KNApSAcK_ID C00006062 | + | KNApSAcK_ID C00006062 |
− | NAME Quercetin 3'-glucoside-7-acetate | + | NAME Quercetin 3'-glucoside-7-acetate |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
− | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
− | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
− | SMILES OC(C4O)C(OC(CO)C4O)Oc(c1)c(O)ccc1C(=C3O)Oc(c2)c(C3=O)c(O)cc2OC(C)=O | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c1)c(O)ccc1C(=C3O)Oc(c2)c(C3=O)c(O)cc2OC(C)=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/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.3722 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -2.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 -0.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -2.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -2.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -0.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 0.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 0.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 1.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 2.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 1.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 2.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 2.5974 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 19 3 1 0 0 0 0 8 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 16 24 1 0 0 0 0 15 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 24 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 CH2OH M SBV 1 38 -6.7877 6.0963 S SKP 8 ID FL5FACGS0059 KNApSAcK_ID C00006062 NAME Quercetin 3'-glucoside-7-acetate CAS_RN - FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES OC(C4O)C(OC(CO)C4O)Oc(c1)c(O)ccc1C(=C3O)Oc(c2)c(C3=O)c(O)cc2OC(C)=O M END