Mol:FLIA1AGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
− | -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2988 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2988 0.9521 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 2 0 0 0 0 | + | 18 13 2 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 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 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 |
− | 23 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
− | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
− | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
− | M SBL 1 1 32 | + | M SBL 1 1 32 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 32 -6.0313 4.3892 | + | M SBV 1 32 -6.0313 4.3892 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1AGS0001 | + | ID FLIA1AGS0001 |
− | KNApSAcK_ID C00002518 | + | KNApSAcK_ID C00002518 |
− | NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside | + | NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside |
− | CAS_RN 552-66-9 | + | CAS_RN 552-66-9 |
− | FORMULA C21H20O9 | + | FORMULA C21H20O9 |
− | EXACTMASS 416.11073223799997 | + | EXACTMASS 416.11073223799997 |
− | AVERAGEMASS 416.37809999999996 | + | AVERAGEMASS 416.37809999999996 |
− | SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 | + | SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.4009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1011 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 0.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 -0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 0.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -0.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 0.9521 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 1 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 23 11 1 0 0 0 0 22 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 ^CH2OH M SBV 1 32 -6.0313 4.3892 S SKP 8 ID FLIA1AGS0001 KNApSAcK_ID C00002518 NAME Daidzin;Daidzein 7-O-glucoside;Daidzoside CAS_RN 552-66-9 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES Oc(c1)ccc(C(C4=O)=COc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)c1 M END