Mol:FL5FCCGA0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3160 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3160 -1.8551 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
− | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 22 33 1 0 0 0 0 | + | 22 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
− | M SBL 2 1 36 | + | M SBL 2 1 36 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 36 2.6015 -1.4426 | + | M SVB 2 36 2.6015 -1.4426 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 34 -3.316 0.5163 | + | M SVB 1 34 -3.316 0.5163 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FCCGA0001 | + | ID FL5FCCGA0001 |
− | KNApSAcK_ID C00005505 | + | KNApSAcK_ID C00005505 |
− | NAME Rhamnetin 3-galactoside | + | NAME Rhamnetin 3-galactoside |
− | CAS_RN 38975-81-4 | + | CAS_RN 38975-81-4 |
− | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
− | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
− | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
− | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)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/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -1.8551 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 16 30 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 CH2OH M SVB 2 36 2.6015 -1.4426 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 -3.316 0.5163 S SKP 8 ID FL5FCCGA0001 KNApSAcK_ID C00005505 NAME Rhamnetin 3-galactoside CAS_RN 38975-81-4 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O M END